5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline

C229H284Cl3F15N34O2 — CID 160764428

IUPAC5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline
SMILESCC(C)CCNC(C)C.CC(C)N(C)c1cnc2ccccc2c1.CC(C)N1CCc2ccccc2C1.CC(C)Nc1cc(C(F)(F)F)ccc1F.CC(C)Nc1cc(Cl)ccc1F.CC(C)Nc1cc2ccccc2[nH]c1=O.CC(C)Nc1cc2ccccc2n(C)c1=O.CC(C)Nc1ccc(-c2ccccc2)cc1.CC(C)Nc1ccc(F)c(F)c1.CC(C)Nc1ccc(F)c(F)c1F.CC(C)Nc1ccc2cccnc2c1.CC(C)Nc1ccc2cccnc2c1.CC(C)Nc1cccc(-c2ccccc2)c1.CC(C)Nc1cnc2c(c1)CCCC2.CC(C)Nc1cnc2ccc(C(F)(F)F)cc2c1.CC(C)Nc1cnc2ccc(F)cc2c1.CC(C)Nc1cnc2ccccc2c1.CC(C)Nc1cnc2ccccc2n1.CC(C)Nc1cnc2cccnc2c1.CC(C)Nc1ncc(Cl)cc1Cl.CF
InChIInChI=1S/2C15H17N.C13H13F3N2.C13H16N2O.C13H16N2.C12H13FN2.C12H14N2O.2C12H14N2.C12H18N2.C12H14N2.C12H17N.2C11H13N3.C10H11F4N.C9H11ClFN.C9H10F3N.C9H11F2N.C8H10Cl2N2.C8H19N.CH3F/c1-12(2)16-15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-12(2)16-15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-8(2)18-11-6-9-5-10(13(14,15)16)3-4-12(9)17-7-11;1-9(2)14-11-8-10-6-4-5-7-12(10)15(3)13(11)16;1-10(2)15(3)12-8-11-6-4-5-7-13(11)14-9-12;1-8(2)15-11-6-9-5-10(13)3-4-12(9)14-7-11;1-8(2)13-11-7-9-5-3-4-6-10(9)14-12(11)15;2*1-9(2)14-11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)14-11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)14-9-6-11-10(13-7-9)4-3-5-12-11;1-8(2)13-11-7-12-9-5-3-4-6-10(9)14-11;1-6(2)15-9-5-7(10(12,13)14)3-4-8(9)11;1-6(2)12-9-5-7(10)3-4-8(9)11;1-5(2)13-7-4-3-6(10)8(11)9(7)12;1-6(2)12-7-3-4-8(10)9(11)5-7;1-5(2)12-8-7(10)3-6(9)4-11-8;1-7(2)5-6-9-8(3)4;1-2/h2*3-12,16H,1-2H3;3-8,18H,1-2H3;4-9,14H,1-3H3;4-10H,1-3H3;3-8,15H,1-2H3;3-8,13H,1-2H3,(H,14,15);2*3-9,14H,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;3-6,10H,7-9H2,1-2H3;3-8,14H,1-2H3;3-8H,1-2H3,(H,13,14);3-6,15H,1-2H3;3-6,12H,1-2H3;3-5,13H,1-2H3;3-6,12H,1-2H3;3-5H,1-2H3,(H,11,12);7-9H,5-6H2,1-4H3;1H3
InChIKeyRYMNIUOCURFFFB-UHFFFAOYSA-N
MW3936.36 g/mol
LogP61.20
Rot. Bonds43

About 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline

5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline (PubChem CID 160764428) has the molecular formula C229H284Cl3F15N34O2 and a molecular weight of 3936.36 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline
PubChem CID160764428
Molecular FormulaC229H284Cl3F15N34O2
Molecular Weight3936.36 g/mol
Exact Mass3932.20
IUPAC Name5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline
SMILESCC(C)CCNC(C)C.CC(C)N(C)c1cnc2ccccc2c1.CC(C)N1CCc2ccccc2C1.CC(C)Nc1cc(C(F)(F)F)ccc1F.CC(C)Nc1cc(Cl)ccc1F.CC(C)Nc1cc2ccccc2[nH]c1=O.CC(C)Nc1cc2ccccc2n(C)c1=O.CC(C)Nc1ccc(-c2ccccc2)cc1.CC(C)Nc1ccc(F)c(F)c1.CC(C)Nc1ccc(F)c(F)c1F.CC(C)Nc1ccc2cccnc2c1.CC(C)Nc1ccc2cccnc2c1.CC(C)Nc1cccc(-c2ccccc2)c1.CC(C)Nc1cnc2c(c1)CCCC2.CC(C)Nc1cnc2ccc(C(F)(F)F)cc2c1.CC(C)Nc1cnc2ccc(F)cc2c1.CC(C)Nc1cnc2ccccc2c1.CC(C)Nc1cnc2ccccc2n1.CC(C)Nc1cnc2cccnc2c1.CC(C)Nc1ncc(Cl)cc1Cl.CF
InChIInChI=1S/2C15H17N.C13H13F3N2.C13H16N2O.C13H16N2.C12H13FN2.C12H14N2O.2C12H14N2.C12H18N2.C12H14N2.C12H17N.2C11H13N3.C10H11F4N.C9H11ClFN.C9H10F3N.C9H11F2N.C8H10Cl2N2.C8H19N.CH3F/c1-12(2)16-15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-12(2)16-15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-8(2)18-11-6-9-5-10(13(14,15)16)3-4-12(9)17-7-11;1-9(2)14-11-8-10-6-4-5-7-12(10)15(3)13(11)16;1-10(2)15(3)12-8-11-6-4-5-7-13(11)14-9-12;1-8(2)15-11-6-9-5-10(13)3-4-12(9)14-7-11;1-8(2)13-11-7-9-5-3-4-6-10(9)14-12(11)15;2*1-9(2)14-11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)14-11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)14-9-6-11-10(13-7-9)4-3-5-12-11;1-8(2)13-11-7-12-9-5-3-4-6-10(9)14-11;1-6(2)15-9-5-7(10(12,13)14)3-4-8(9)11;1-6(2)12-9-5-7(10)3-4-8(9)11;1-5(2)13-7-4-3-6(10)8(11)9(7)12;1-6(2)12-7-3-4-8(10)9(11)5-7;1-5(2)12-8-7(10)3-6(9)4-11-8;1-7(2)5-6-9-8(3)4;1-2/h2*3-12,16H,1-2H3;3-8,18H,1-2H3;4-9,14H,1-3H3;4-10H,1-3H3;3-8,15H,1-2H3;3-8,13H,1-2H3,(H,14,15);2*3-9,14H,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;3-6,10H,7-9H2,1-2H3;3-8,14H,1-2H3;3-8H,1-2H3,(H,13,14);3-6,15H,1-2H3;3-6,12H,1-2H3;3-5,13H,1-2H3;3-6,12H,1-2H3;3-5H,1-2H3,(H,11,12);7-9H,5-6H2,1-4H3;1H3
InChIKeyRYMNIUOCURFFFB-UHFFFAOYSA-N
XLogP61.20
TPSA432.56 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003936.36
LogP ≤ 561.20
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]-2-pyridinyl]piperazin-1-yl]prop-2-en-1-one
CID 126531145
1-[4-[5-[3-Chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]-2-pyridinyl]piperazin-1-yl]prop-2-en-1-one
CID 126531146
4-[5-[4-[1-(6-Amino-3-fluoro-2-pyridinyl)ethylamino]-3-chloroquinolin-6-yl]pyrimidin-2-yl]piperazin-2-one
CID 135286572
2-[1-[4-[(Z)-3-[(3S,5S)-4-[7-(2-amino-6-fluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-2-propan-2-ylphenyl]-6-chloro-4-[(2S)-4-[(Z)-3-[5-[4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorobenzonitrile
CID 146254472
7-(2-amino-5-chloro-4-pyridinyl)-4-[(2S)-4-[(Z)-3-[5-[7-(2-amino-6-fluorophenyl)-6-chloro-4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-4-methyl-6-propan-2-yl-2-pyridinyl]prop-2-enoyl]-2-methylpiperazin-1-yl]-6-chloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254475
1-[5-[(Z)-3-[(3R,5S)-4-[7-(2-amino-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,5-dimethylpiperazin-1-yl]-3-oxoprop-1-enyl]-3-propan-2-ylpyrazin-2-yl]-6-fluoro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146254546
7-[2-Amino-3,4,6-trifluoro-5-(trifluoromethyl)phenyl]-6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
CID 157536850
4-chloro-1-fluoro-2-(2-methylpropyl)benzene;3,5-dichloro-2-(2-methylpropyl)pyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,6-dimethylheptane;fluoromethane;6-fluoro-3-(2-methylpropyl)quinoline;1-fluoro-2-(2-methylpropyl)-4-(trifluoromethyl)benzene;1-methyl-3-(2-methylpropyl)quinolin-2-one;N-methyl-N-propan-2-ylquinolin-3-amine;3-(2-methylpropyl)-1,5-naphthyridine;1-(2-methylpropyl)-3-phenylbenzene;1-(2-methylpropyl)-4-phenylbenzene;3-(2-methylpropyl)quinoline;bis(7-(2-methylpropyl)quinoline);3-(2-methylpropyl)-1H-quinolin-2-one;2-(2-methylpropyl)quinoxaline;3-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline;3-(2-methylpropyl)-6-(trifluoromethyl)quinoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1,2,3-trifluoro-4-(2-methylpropyl)benzene
CID 157745116
6-chloro-1-[4-(dimethylamino)-2-propan-2-yl-3-pyridinyl]-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]-2,2,2-trifluoroacetamide
CID 157841416
9-(6-Amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-amino-3-pyridinyl)-1-(6-fluoro-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-(6-fluoro-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 157883857
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(7H-cyclopenta[b]pyridin-3-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158094052
9-(6-amino-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-aminopyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(1-propanoyl-3,6-dihydro-2H-pyridin-4-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 158273845

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline?
The IUPAC name of 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline (CID 160764428) is 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline?
The canonical SMILES for 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline is CC(C)CCNC(C)C.CC(C)N(C)c1cnc2ccccc2c1.CC(C)N1CCc2ccccc2C1.CC(C)Nc1cc(C(F)(F)F)ccc1F.CC(C)Nc1cc(Cl)ccc1F.CC(C)Nc1cc2ccccc2[nH]c1=O.CC(C)Nc1cc2ccccc2n(C)c1=O.CC(C)Nc1ccc(-c2ccccc2)cc1.CC(C)Nc1ccc(F)c(F)c1.CC(C)Nc1ccc(F)c(F)c1F.CC(C)Nc1ccc2cccnc2c1.CC(C)Nc1ccc2cccnc2c1.CC(C)Nc1cccc(-c2ccccc2)c1.CC(C)Nc1cnc2c(c1)CCCC2.CC(C)Nc1cnc2ccc(C(F)(F)F)cc2c1.CC(C)Nc1cnc2ccc(F)cc2c1.CC(C)Nc1cnc2ccccc2c1.CC(C)Nc1cnc2ccccc2n1.CC(C)Nc1cnc2cccnc2c1.CC(C)Nc1ncc(Cl)cc1Cl.CF.
What is the InChIKey of 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline?
The InChIKey is RYMNIUOCURFFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C13H13F3N2.C13H16N2O.C13H16N2.C12H13FN2.C12H14N2O.2C12H14N2.C12H18N2.C12H14N2.C12H17N.2C11H13N3.C10H11F4N.C9H11ClFN.C9H10F3N.C9H11F2N.C8H10Cl2N2.C8H19N.CH3F/c1-12(2)16-15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-12(2)16-15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-8(2)18-11-6-9-5-10(13(14,15)16)3-4-12(9)17-7-11;1-9(2)14-11-8-10-6-4-5-7-12(10)15(3)13(11)16;1-10(2)15(3)12-8-11-6-4-5-7-13(11)14-9-12;1-8(2)15-11-6-9-5-10(13)3-4-12(9)14-7-11;1-8(2)13-11-7-9-5-3-4-6-10(9)14-12(11)15;2*1-9(2)14-11-6-5-10-4-3-7-13-12(10)8-11;2*1-9(2)14-11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)14-9-6-11-10(13-7-9)4-3-5-12-11;1-8(2)13-11-7-12-9-5-3-4-6-10(9)14-11;1-6(2)15-9-5-7(10(12,13)14)3-4-8(9)11;1-6(2)12-9-5-7(10)3-4-8(9)11;1-5(2)13-7-4-3-6(10)8(11)9(7)12;1-6(2)12-7-3-4-8(10)9(11)5-7;1-5(2)12-8-7(10)3-6(9)4-11-8;1-7(2)5-6-9-8(3)4;1-2/h2*3-12,16H,1-2H3;3-8,18H,1-2H3;4-9,14H,1-3H3;4-10H,1-3H3;3-8,15H,1-2H3;3-8,13H,1-2H3,(H,14,15);2*3-9,14H,1-2H3;7-9,14H,3-6H2,1-2H3;3-9,14H,1-2H3;3-6,10H,7-9H2,1-2H3;3-8,14H,1-2H3;3-8H,1-2H3,(H,13,14);3-6,15H,1-2H3;3-6,12H,1-2H3;3-5,13H,1-2H3;3-6,12H,1-2H3;3-5H,1-2H3,(H,11,12);7-9H,5-6H2,1-4H3;1H3.
What are the key properties of 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline?
5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline has a molecular weight of 3936.36 g/mol, XLogP of 61.20, 43 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-propan-2-ylaniline;3,5-dichloro-N-propan-2-ylpyridin-2-amine;3,4-difluoro-N-propan-2-ylaniline;fluoromethane;6-fluoro-N-propan-2-ylquinolin-3-amine;2-fluoro-N-propan-2-yl-5-(trifluoromethyl)aniline;1-methyl-3-(propan-2-ylamino)quinolin-2-one;3-methyl-N-propan-2-ylbutan-1-amine;N-methyl-N-propan-2-ylquinolin-3-amine;3-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylaniline;3-(propan-2-ylamino)-1H-quinolin-2-one;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;N-propan-2-yl-1,5-naphthyridin-3-amine;N-propan-2-ylquinolin-3-amine;bis(N-propan-2-ylquinolin-7-amine);N-propan-2-ylquinoxalin-2-amine;N-propan-2-yl-5,6,7,8-tetrahydroquinolin-3-amine;N-propan-2-yl-6-(trifluoromethyl)quinolin-3-amine;2,3,4-trifluoro-N-propan-2-ylaniline is sourced from PubChem (CID 160764428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).