N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide

C22H22N2OS — CID 5216224

IUPACN-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
SMILESCC(C)c1ccc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2OS/c1-14(2)15-7-11-17(12-8-15)26-21-13-19(22(25)23-16-9-10-16)18-5-3-4-6-20(18)24-21/h3-8,11-14,16H,9-10H2,1-2H3,(H,23,25)
InChIKeyGPKPRKWAXPQHGQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.40
Rot. Bonds5

About N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide

N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide (PubChem CID 5216224) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
PubChem CID5216224
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC NameN-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
SMILESCC(C)c1ccc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2OS/c1-14(2)15-7-11-17(12-8-15)26-21-13-19(22(25)23-16-9-10-16)18-5-3-4-6-20(18)24-21/h3-8,11-14,16H,9-10H2,1-2H3,(H,23,25)
InChIKeyGPKPRKWAXPQHGQ-UHFFFAOYSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 22421377
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
N-cyclopropyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 17413281
2-(4-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 22421378
2-(4-chlorophenyl)sulfanyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 124772788
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216223
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 3388555
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
CID 17413301
N-cyclopropyl-2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]sulfanylquinoline-4-carboxamide
CID 74633448
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide (CID 5216224) is N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide is CC(C)c1ccc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide?
The InChIKey is GPKPRKWAXPQHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-14(2)15-7-11-17(12-8-15)26-21-13-19(22(25)23-16-9-10-16)18-5-3-4-6-20(18)24-21/h3-8,11-14,16H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide?
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 5216224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).