1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol

C49H42Cl2N4O2 — CID 160809578

IUPAC1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
SMILESCC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1.Cc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H23ClN2O.C24H19ClN2O/c1-15-13-21-24(16(2)23(15)17-9-11-27-12-10-17)19(14-22(28-21)25(3,4)29)18-7-5-6-8-20(18)26;1-14-12-22-24(15(2)23(14)17-8-10-26-11-9-17)19(13-21(27-22)16(3)28)18-6-4-5-7-20(18)25/h5-14,29H,1-4H3;4-13H,1-3H3
InChIKeySEDFXCJVPKKKDI-UHFFFAOYSA-N
MW789.81 g/mol
LogP12.90
Rot. Bonds6

About 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol

1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol (PubChem CID 160809578) has the molecular formula C49H42Cl2N4O2 and a molecular weight of 789.81 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
PubChem CID160809578
Molecular FormulaC49H42Cl2N4O2
Molecular Weight789.81 g/mol
Exact Mass788.27
IUPAC Name1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
SMILESCC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1.Cc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H23ClN2O.C24H19ClN2O/c1-15-13-21-24(16(2)23(15)17-9-11-27-12-10-17)19(14-22(28-21)25(3,4)29)18-7-5-6-8-20(18)26;1-14-12-22-24(15(2)23(14)17-8-10-26-11-9-17)19(13-21(27-22)16(3)28)18-6-4-5-7-20(18)25/h5-14,29H,1-4H3;4-13H,1-3H3
InChIKeySEDFXCJVPKKKDI-UHFFFAOYSA-N
XLogP12.90
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.81
LogP ≤ 512.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]-2-methylsulfonylethanone
CID 158401434
4-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
CID 126594085
4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-sulfonamide
CID 126594038
methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
CID 126594106
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
CID 126594091
1-[4-(2-chlorophenyl)-2-methylphenyl]ethanone
CID 172646458
1-(2-tert-butyl-5,7-dichloroquinolin-4-yl)ethanone
CID 82449477
5,7-dimethyl-4-phenyl-6-pyridin-4-ylchromen-2-one
CID 71549486
1-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]ethanone;ethane
CID 178176313
4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide
CID 177186371
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69007145

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
The IUPAC name of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol (CID 160809578) is 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol is CC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1.Cc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
The InChIKey is SEDFXCJVPKKKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O.C24H19ClN2O/c1-15-13-21-24(16(2)23(15)17-9-11-27-12-10-17)19(14-22(28-21)25(3,4)29)18-7-5-6-8-20(18)26;1-14-12-22-24(15(2)23(14)17-8-10-26-11-9-17)19(13-21(27-22)16(3)28)18-6-4-5-7-20(18)25/h5-14,29H,1-4H3;4-13H,1-3H3.
What are the key properties of 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol has a molecular weight of 789.81 g/mol, XLogP of 12.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]ethanone;2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol is sourced from PubChem (CID 160809578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).