[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide

C41H39Cl3N4O2S — CID 123339669

IUPAC[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1.O=C(c1cccc(-c2ccccc2Cl)n1)N1CCCc2ccccc21
InChIInChI=1S/C21H17ClN2O.C20H22Cl2N2OS/c22-17-10-3-2-9-16(17)18-11-5-12-19(23-18)21(25)24-14-6-8-15-7-1-4-13-20(15)24;1-13-8-10-14(11-9-13)24-20(25)18-7-2-4-15(23-18)12-26-19-16(21)5-3-6-17(19)22/h1-5,7,9-13H,6,8,14H2;2-7,13-14H,8-12H2,1H3,(H,24,25)
InChIKeyDVYYTYCTLIVAPS-UHFFFAOYSA-N
MW758.22 g/mol
LogP10.98
Rot. Bonds7

About [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide

[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide (PubChem CID 123339669) has the molecular formula C41H39Cl3N4O2S and a molecular weight of 758.22 g/mol. Its IUPAC name is [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide
PubChem CID123339669
Molecular FormulaC41H39Cl3N4O2S
Molecular Weight758.22 g/mol
Exact Mass756.19
IUPAC Name[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1.O=C(c1cccc(-c2ccccc2Cl)n1)N1CCCc2ccccc21
InChIInChI=1S/C21H17ClN2O.C20H22Cl2N2OS/c22-17-10-3-2-9-16(17)18-11-5-12-19(23-18)21(25)24-14-6-8-15-7-1-4-13-20(15)24;1-13-8-10-14(11-9-13)24-20(25)18-7-2-4-15(23-18)12-26-19-16(21)5-3-6-17(19)22/h1-5,7,9-13H,6,8,14H2;2-7,13-14H,8-12H2,1H3,(H,24,25)
InChIKeyDVYYTYCTLIVAPS-UHFFFAOYSA-N
XLogP10.98
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.22
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide with MolForge

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Related Compounds

[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;methyl 6-bromopyridine-2-carboxylate
CID 162000617
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide
CID 11988639
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
[6-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84570920
N-tert-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109099143
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109100170
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
N-(2,6-difluorophenyl)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109100371
[6-(2-chlorophenyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 58211047
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide (CID 123339669) is [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1.O=C(c1cccc(-c2ccccc2Cl)n1)N1CCCc2ccccc21.
What is the InChIKey of [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is DVYYTYCTLIVAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O.C20H22Cl2N2OS/c22-17-10-3-2-9-16(17)18-11-5-12-19(23-18)21(25)24-14-6-8-15-7-1-4-13-20(15)24;1-13-8-10-14(11-9-13)24-20(25)18-7-2-4-15(23-18)12-26-19-16(21)5-3-6-17(19)22/h1-5,7,9-13H,6,8,14H2;2-7,13-14H,8-12H2,1H3,(H,24,25).
What are the key properties of [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide?
[6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 758.22 g/mol, XLogP of 10.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone;6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 123339669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).