8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one

C24H15ClF3N5O — CID 139551858

IUPAC8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)c2nc(NCC(F)(F)F)ncc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C24H15ClF3N5O/c25-17-5-3-14(4-6-17)20-21-16(11-30-23(32-21)31-13-24(26,27)28)12-33(22(20)34)18-7-8-19-15(10-18)2-1-9-29-19/h1-12H,13H2,(H,31,32)
InChIKeyHEYUVJFLGRWFDO-UHFFFAOYSA-N
MW481.87 g/mol
LogP5.62
Rot. Bonds4

About 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one

8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one (PubChem CID 139551858) has the molecular formula C24H15ClF3N5O and a molecular weight of 481.87 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
PubChem CID139551858
Molecular FormulaC24H15ClF3N5O
Molecular Weight481.87 g/mol
Exact Mass481.09
IUPAC Name8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccc(Cl)cc2)c2nc(NCC(F)(F)F)ncc2cn1-c1ccc2ncccc2c1
InChIInChI=1S/C24H15ClF3N5O/c25-17-5-3-14(4-6-17)20-21-16(11-30-23(32-21)31-13-24(26,27)28)12-33(22(20)34)18-7-8-19-15(10-18)2-1-9-29-19/h1-12H,13H2,(H,31,32)
InChIKeyHEYUVJFLGRWFDO-UHFFFAOYSA-N
XLogP5.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.87
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-Chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-((2,2,2-trifluoroethyl)amino)pyrido[4,3-d]pyrimidin-7(6H)-one
CID 139551841
2-(4-chlorophenyl)-N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]acetamide
CID 11270845
2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
CID 44544142
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-(dimethylamino)benzamide
CID 44544143
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 44544145
8-(4-Bromophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139551865
5-(3-chloroanilino)-N-(2,2-difluoroethyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 156861575
Pyridine, 1,2,3,6-tetrahydro-4-(4-chlorophenyl)-1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3054996
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 42743670
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 44428935
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-3,5-difluorobenzamide
CID 44428942
2-(2-acetamidophenyl)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2,2-difluoroacetamide
CID 162669281

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one (CID 139551858) is 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one is O=c1c(-c2ccc(Cl)cc2)c2nc(NCC(F)(F)F)ncc2cn1-c1ccc2ncccc2c1.
What is the InChIKey of 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is HEYUVJFLGRWFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3N5O/c25-17-5-3-14(4-6-17)20-21-16(11-30-23(32-21)31-13-24(26,27)28)12-33(22(20)34)18-7-8-19-15(10-18)2-1-9-29-19/h1-12H,13H2,(H,31,32).
What are the key properties of 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 481.87 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 139551858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).