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

C23H29N3O2S — CID 46647045

IUPAC2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
SMILESCC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H29N3O2S/c1-15(22(27)24-16-8-4-2-3-5-9-16)29-21-14-19(23(28)25-17-12-13-17)18-10-6-7-11-20(18)26-21/h6-7,10-11,14-17H,2-5,8-9,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyFNTVBRMRKPFLNM-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.45
Rot. Bonds6

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

2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide (PubChem CID 46647045) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
PubChem CID46647045
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
SMILESCC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H29N3O2S/c1-15(22(27)24-16-8-4-2-3-5-9-16)29-21-14-19(23(28)25-17-12-13-17)18-10-6-7-11-20(18)26-21/h6-7,10-11,14-17H,2-5,8-9,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyFNTVBRMRKPFLNM-UHFFFAOYSA-N
XLogP4.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46645952
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-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
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
N-cyclopropyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylquinoline-4-carboxamide
CID 46645858
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide (CID 46647045) is 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide is CC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is FNTVBRMRKPFLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-15(22(27)24-16-8-4-2-3-5-9-16)29-21-14-19(23(28)25-17-12-13-17)18-10-6-7-11-20(18)26-21/h6-7,10-11,14-17H,2-5,8-9,12-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide?
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 46647045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).