N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide

C20H23N3O2S — CID 17413301

IUPACN-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
SMILESCC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CCCC1
InChIInChI=1S/C20H23N3O2S/c1-13(20(25)23-10-4-5-11-23)26-18-12-16(19(24)21-14-8-9-14)15-6-2-3-7-17(15)22-18/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,21,24)
InChIKeyWCOZLCKUNFCRDA-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.23
Rot. Bonds5

About N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide

N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide (PubChem CID 17413301) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
PubChem CID17413301
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
SMILESCC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CCCC1
InChIInChI=1S/C20H23N3O2S/c1-13(20(25)23-10-4-5-11-23)26-18-12-16(19(24)21-14-8-9-14)15-6-2-3-7-17(15)22-18/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,21,24)
InChIKeyWCOZLCKUNFCRDA-UHFFFAOYSA-N
XLogP3.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46645952
2-[1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46646085
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-[1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]sulfanylquinoline-4-carboxamide
CID 46583688
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 41138346
N-cyclopropyl-2-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylquinoline-4-carboxamide
CID 46645979
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
N-cyclopropyl-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanylquinoline-4-carboxamide
CID 46645858
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-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide (CID 17413301) is N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide is CC(Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)N1CCCC1.
What is the InChIKey of N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide?
The InChIKey is WCOZLCKUNFCRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13(20(25)23-10-4-5-11-23)26-18-12-16(19(24)21-14-8-9-14)15-6-2-3-7-17(15)22-18/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide?
N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 17413301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).