7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

C108H89ClF4N22O5 — CID 158360308

IUPAC7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCOCCOc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1nc(N)c2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC4CC4)c3)cc12
InChIInChI=1S/C23H21N5O.C23H20N4O.C22H20N4O2.C21H15F3N4O.C19H13ClFN5/c24-23-20-14-16(6-7-21(20)26-15-27-23)19-5-2-8-25-22(19)17-3-1-4-18(13-17)28-9-11-29-12-10-28;24-23-20-12-16(8-9-21(20)26-14-27-23)19-5-2-10-25-22(19)17-3-1-4-18(11-17)28-13-15-6-7-15;1-27-10-11-28-17-5-2-4-16(12-17)21-18(6-3-9-24-21)15-7-8-20-19(13-15)22(23)26-14-25-20;22-21(23,24)11-29-15-4-1-3-14(9-15)19-16(5-2-8-26-19)13-6-7-18-17(10-13)20(25)28-12-27-18;20-14-8-11(4-6-15(14)21)17-12(2-1-7-24-17)10-3-5-13-16(9-10)25-19(23)26-18(13)22/h1-8,13-15H,9-12H2,(H2,24,26,27);1-5,8-12,14-15H,6-7,13H2,(H2,24,26,27);2-9,12-14H,10-11H2,1H3,(H2,23,25,26);1-10,12H,11H2,(H2,25,27,28);1-9H,(H4,22,23,25,26)
InChIKeyGTJPIIQRSGIYMF-UHFFFAOYSA-N
MW1886.49 g/mol
LogP21.67
Rot. Bonds20

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 158360308) has the molecular formula C108H89ClF4N22O5 and a molecular weight of 1886.49 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
PubChem CID158360308
Molecular FormulaC108H89ClF4N22O5
Molecular Weight1886.49 g/mol
Exact Mass1884.70
IUPAC Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCOCCOc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1nc(N)c2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC4CC4)c3)cc12
InChIInChI=1S/C23H21N5O.C23H20N4O.C22H20N4O2.C21H15F3N4O.C19H13ClFN5/c24-23-20-14-16(6-7-21(20)26-15-27-23)19-5-2-8-25-22(19)17-3-1-4-18(13-17)28-9-11-29-12-10-28;24-23-20-12-16(8-9-21(20)26-14-27-23)19-5-2-10-25-22(19)17-3-1-4-18(11-17)28-13-15-6-7-15;1-27-10-11-28-17-5-2-4-16(12-17)21-18(6-3-9-24-21)15-7-8-20-19(13-15)22(23)26-14-25-20;22-21(23,24)11-29-15-4-1-3-14(9-15)19-16(5-2-8-26-19)13-6-7-18-17(10-13)20(25)28-12-27-18;20-14-8-11(4-6-15(14)21)17-12(2-1-7-24-17)10-3-5-13-16(9-10)25-19(23)26-18(13)22/h1-8,13-15H,9-12H2,(H2,24,26,27);1-5,8-12,14-15H,6-7,13H2,(H2,24,26,27);2-9,12-14H,10-11H2,1H3,(H2,23,25,26);1-10,12H,11H2,(H2,25,27,28);1-9H,(H4,22,23,25,26)
InChIKeyGTJPIIQRSGIYMF-UHFFFAOYSA-N
XLogP21.67
TPSA398.86 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.49
LogP ≤ 521.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
2-[3-[3-(4-Aminoquinazolin-6-yl)-2-pyridinyl]phenoxy]acetonitrile;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157826706
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
7-(3-chloro-2-pyridinyl)-2-(cyclopropyloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(ethoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(phenoxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-2-(propan-2-yloxymethyl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 157959952
4-[7-(2-Chlorophenyl)quinoxalin-2-yl]morpholine;4-[7-[4-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine;4-[7-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 157981721
2-chloro-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-[7-(2,3-dimethoxyphenyl)-1,6-naphthyridin-5-yl]morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)aniline;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
CID 158009538
7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine
CID 158225923
3-[3-(4-Aminoquinazolin-6-yl)-2-pyridinyl]phenol;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 158290913
1-[3-(3-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol);1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylphenoxy)propan-2-ol
CID 158493017
2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine
CID 158643779
1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-4-propan-2-ylbenzene;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;methane;2-methoxy-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;heptakis(2-methyl-5-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;5-propan-2-yl-2-propylpyridine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;3-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158675892
1-[3-Chloro-5-[4-[cyclohexyl(methyl)amino]-6-[6-(dimethylamino)-3-pyridinyl]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[4-[cyclohexyl(methyl)amino]-5-methyl-6-quinoxalin-2-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-cyclohexyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 159032682

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (CID 158360308) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is COCCOc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1nc(N)c2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC4CC4)c3)cc12.
What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is GTJPIIQRSGIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C23H20N4O.C22H20N4O2.C21H15F3N4O.C19H13ClFN5/c24-23-20-14-16(6-7-21(20)26-15-27-23)19-5-2-8-25-22(19)17-3-1-4-18(13-17)28-9-11-29-12-10-28;24-23-20-12-16(8-9-21(20)26-14-27-23)19-5-2-10-25-22(19)17-3-1-4-18(11-17)28-13-15-6-7-15;1-27-10-11-28-17-5-2-4-16(12-17)21-18(6-3-9-24-21)15-7-8-20-19(13-15)22(23)26-14-25-20;22-21(23,24)11-29-15-4-1-3-14(9-15)19-16(5-2-8-26-19)13-6-7-18-17(10-13)20(25)28-12-27-18;20-14-8-11(4-6-15(14)21)17-12(2-1-7-24-17)10-3-5-13-16(9-10)25-19(23)26-18(13)22/h1-8,13-15H,9-12H2,(H2,24,26,27);1-5,8-12,14-15H,6-7,13H2,(H2,24,26,27);2-9,12-14H,10-11H2,1H3,(H2,23,25,26);1-10,12H,11H2,(H2,25,27,28);1-9H,(H4,22,23,25,26).
What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 1886.49 g/mol, XLogP of 21.67, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 158360308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).