2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

C25H21ClN2OS — CID 4249991

IUPAC2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(Sc3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H21ClN2OS/c1-17-10-12-18(13-11-17)14-15-27-25(29)20-16-24(28-22-8-4-2-6-19(20)22)30-23-9-5-3-7-21(23)26/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyOQZHDJWMOFIQJZ-UHFFFAOYSA-N
MW432.98 g/mol
LogP6.32
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide

2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 4249991) has the molecular formula C25H21ClN2OS and a molecular weight of 432.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID4249991
Molecular FormulaC25H21ClN2OS
Molecular Weight432.98 g/mol
Exact Mass432.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
SMILESCc1ccc(CCNC(=O)c2cc(Sc3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H21ClN2OS/c1-17-10-12-18(13-11-17)14-15-27-25(29)20-16-24(28-22-8-4-2-6-19(20)22)30-23-9-5-3-7-21(23)26/h2-13,16H,14-15H2,1H3,(H,27,29)
InChIKeyOQZHDJWMOFIQJZ-UHFFFAOYSA-N
XLogP6.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.98
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4244425
2-(2-chlorophenyl)sulfanyl-N-(2,2-dimethoxyethyl)quinoline-4-carboxamide
CID 4249988
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 3579691
N-butyl-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123222
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide (CID 4249991) is 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide is Cc1ccc(CCNC(=O)c2cc(Sc3ccccc3Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is OQZHDJWMOFIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2OS/c1-17-10-12-18(13-11-17)14-15-27-25(29)20-16-24(28-22-8-4-2-6-19(20)22)30-23-9-5-3-7-21(23)26/h2-13,16H,14-15H2,1H3,(H,27,29).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide?
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 432.98 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 4249991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).