2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide

C23H29N3O2S — CID 46645952

IUPAC2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
SMILESCC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NCC1CCCCC1
InChIInChI=1S/C23H29N3O2S/c1-15(22(27)24-14-16-7-3-2-4-8-16)29-21-13-19(23(28)25-17-11-12-17)18-9-5-6-10-20(18)26-21/h5-6,9-10,13,15-17H,2-4,7-8,11-12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyNVPMPNMQUHEELP-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.30
Rot. Bonds7

About 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide

2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide (PubChem CID 46645952) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
PubChem CID46645952
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
SMILESCC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NCC1CCCCC1
InChIInChI=1S/C23H29N3O2S/c1-15(22(27)24-14-16-7-3-2-4-8-16)29-21-13-19(23(28)25-17-11-12-17)18-9-5-6-10-20(18)26-21/h5-6,9-10,13,15-17H,2-4,7-8,11-12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyNVPMPNMQUHEELP-UHFFFAOYSA-N
XLogP4.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
CID 17413301
2-[1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46646085
N-cyclopropyl-2-[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]sulfanylquinoline-4-carboxamide
CID 46583688
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
N-cyclopropyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 17413281
N-cyclopropyl-2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylquinoline-4-carboxamide
CID 46645979
(2R)-N-(cyclohexylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 27140282
N-cyclopropyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylquinoline-4-carboxamide
CID 46645858
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
N-(cyclohexylmethyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 42973964
N-cyclopropyl-2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]sulfanylquinoline-4-carboxamide
CID 74633448

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide (CID 46645952) is 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide is CC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is NVPMPNMQUHEELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-15(22(27)24-14-16-7-3-2-4-8-16)29-21-13-19(23(28)25-17-11-12-17)18-9-5-6-10-20(18)26-21/h5-6,9-10,13,15-17H,2-4,7-8,11-12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 46645952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).