6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline

C116H122ClF6N19O2 — CID 157499980

IUPAC6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline
SMILESCC(C)c1ccnc2[nH]ccc(=O)c12.CC(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)c1ccnc2cc(C(F)(F)F)ncc12.CC(C)c1ccnc2ccc(C(N)=O)cc12.CC(C)c1ccnc2ccc(Cl)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccnc(N)c12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2ccncc12
InChIInChI=1S/C13H12F3N.C13H14N2O.C12H12ClN.C12H11F3N2.C12H13N.C11H13N3.C11H12N2O.2C11H12N2.C10H11N3/c1-8(2)10-5-6-17-12-7-9(13(14,15)16)3-4-11(10)12;1-8(2)10-5-6-15-12-4-3-9(13(14)16)7-11(10)12;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-7(2)8-3-4-16-10-5-11(12(13,14)15)17-6-9(8)10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-13-9-4-6-14-11(12)10(8)9;1-7(2)8-3-5-12-11-10(8)9(14)4-6-13-11;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-7(2)10-8-5-11-4-3-9(8)12-6-13-10/h3-8H,1-2H3;3-8H,1-2H3,(H2,14,16);3-8H,1-2H3;3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H2,12,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3
InChIKeyBYHFJNRTDGVPSI-UHFFFAOYSA-N
MW1963.82 g/mol
LogP30.01
Rot. Bonds11

About 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline

6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline (PubChem CID 157499980) has the molecular formula C116H122ClF6N19O2 and a molecular weight of 1963.82 g/mol. Its IUPAC name is 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline
PubChem CID157499980
Molecular FormulaC116H122ClF6N19O2
Molecular Weight1963.82 g/mol
Exact Mass1961.96
IUPAC Name6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline
SMILESCC(C)c1ccnc2[nH]ccc(=O)c12.CC(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)c1ccnc2cc(C(F)(F)F)ncc12.CC(C)c1ccnc2ccc(C(N)=O)cc12.CC(C)c1ccnc2ccc(Cl)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccnc(N)c12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2ccncc12
InChIInChI=1S/C13H12F3N.C13H14N2O.C12H12ClN.C12H11F3N2.C12H13N.C11H13N3.C11H12N2O.2C11H12N2.C10H11N3/c1-8(2)10-5-6-17-12-7-9(13(14,15)16)3-4-11(10)12;1-8(2)10-5-6-15-12-4-3-9(13(14)16)7-11(10)12;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-7(2)8-3-4-16-10-5-11(12(13,14)15)17-6-9(8)10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-13-9-4-6-14-11(12)10(8)9;1-7(2)8-3-5-12-11-10(8)9(14)4-6-13-11;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-7(2)10-8-5-11-4-3-9(8)12-6-13-10/h3-8H,1-2H3;3-8H,1-2H3,(H2,14,16);3-8H,1-2H3;3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H2,12,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3
InChIKeyBYHFJNRTDGVPSI-UHFFFAOYSA-N
XLogP30.01
TPSA308.21 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.82
LogP ≤ 530.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline with MolForge

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Related Compounds

6-Chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66763782
4-[[(1R)-1-[3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763278
4-(8-(3-acrylamidophenyl)quinazolin-6-yl)-3-chloro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 134264537
4-amino-N-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)pyrido[3,2-d]pyrimidine-8-carboxamide
CID 163272168
4-(8-(3-acrylamidophenyl)quinazolin-6-yl)-3-chloro-N-(4-cyclopropylpyridin-2-yl)benzamide
CID 134265375
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-7-(4-fluorophenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 4585426
2-chloro-4-[[6-[(E)-5-[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidin-5-yl]-5-oxopent-1-enyl]quinazolin-2-yl]methyl]-N-methylbenzamide
CID 58567548
2-chloro-4-[[6-[(E)-5-[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidin-5-yl]-5-oxopent-1-enyl]quinazolin-2-yl]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 58567613
1-[6-(3-Chloro-5-fluoro-4-methylphenyl)-4-[(2-piperazin-1-ylpyrimidin-5-yl)amino]quinolin-3-yl]ethanone
CID 68091977
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 87610811
5-methyl-6-quinolin-7-yl-2-(2,2,2-trifluoroethoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine;7-[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]-1H-quinolin-4-one
CID 87929952
5-Chloro-2-(trifluoromethyl)-1,8-naphthyridine;2-[2-fluoro-5-[7-(trifluoromethyl)-1,8-naphthyridin-4-yl]phenyl]pyridine-3-carboxamide
CID 88030091

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
The IUPAC name of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline (CID 157499980) is 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline is CC(C)c1ccnc2[nH]ccc(=O)c12.CC(C)c1ccnc2cc(C(F)(F)F)ccc12.CC(C)c1ccnc2cc(C(F)(F)F)ncc12.CC(C)c1ccnc2ccc(C(N)=O)cc12.CC(C)c1ccnc2ccc(Cl)cc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccnc(N)c12.CC(C)c1ccnc2ccncc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2ccncc12.
What is the InChIKey of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
The InChIKey is BYHFJNRTDGVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N.C13H14N2O.C12H12ClN.C12H11F3N2.C12H13N.C11H13N3.C11H12N2O.2C11H12N2.C10H11N3/c1-8(2)10-5-6-17-12-7-9(13(14,15)16)3-4-11(10)12;1-8(2)10-5-6-15-12-4-3-9(13(14)16)7-11(10)12;1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12;1-7(2)8-3-4-16-10-5-11(12(13,14)15)17-6-9(8)10;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)8-3-5-13-9-4-6-14-11(12)10(8)9;1-7(2)8-3-5-12-11-10(8)9(14)4-6-13-11;1-8(2)9-3-6-13-11-4-5-12-7-10(9)11;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-7(2)10-8-5-11-4-3-9(8)12-6-13-10/h3-8H,1-2H3;3-8H,1-2H3,(H2,14,16);3-8H,1-2H3;3-7H,1-2H3;3-9H,1-2H3;3-7H,1-2H3,(H2,12,14);3-7H,1-2H3,(H,12,13,14);2*3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline?
6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline has a molecular weight of 1963.82 g/mol, XLogP of 30.01, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-ylquinoline;4-propan-2-yl-1,6-naphthyridin-5-amine;4-propan-2-yl-1,6-naphthyridine;4-propan-2-yl-1,8-naphthyridine;5-propan-2-yl-1H-1,8-naphthyridin-4-one;4-propan-2-ylpyrido[4,3-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-ylquinoline-6-carboxamide;4-propan-2-yl-7-(trifluoromethyl)-1,6-naphthyridine;4-propan-2-yl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 157499980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).