(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

C17H23N3O2S — CID 95132095

IUPAC(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCSCC[C@H]1CC(=O)Nc2cc(N3CCCC3)c(C(N)=O)cc21
InChIInChI=1S/C17H23N3O2S/c1-23-7-4-11-8-16(21)19-14-10-15(20-5-2-3-6-20)13(17(18)22)9-12(11)14/h9-11H,2-8H2,1H3,(H2,18,22)(H,19,21)/t11-/m0/s1
InChIKeyOYHXAMSMRFXXBH-NSHDSACASA-N
MW333.46 g/mol
LogP2.56
Rot. Bonds5

About (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide

(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 95132095) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID95132095
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCSCC[C@H]1CC(=O)Nc2cc(N3CCCC3)c(C(N)=O)cc21
InChIInChI=1S/C17H23N3O2S/c1-23-7-4-11-8-16(21)19-14-10-15(20-5-2-3-6-20)13(17(18)22)9-12(11)14/h9-11H,2-8H2,1H3,(H2,18,22)(H,19,21)/t11-/m0/s1
InChIKeyOYHXAMSMRFXXBH-NSHDSACASA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

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CID 95149170
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CID 95140597
(4R)-2-oxo-4-[(E)-2-phenylethenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95119603
(4S)-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95144233
4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 169416286
4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylbenzamide
CID 69277245
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 119325036
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
CID 68506696
5-amino-2-methyl-4-piperidin-1-ylbenzamide
CID 146170473
1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
CID 43479138

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (CID 95132095) is (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is CSCC[C@H]1CC(=O)Nc2cc(N3CCCC3)c(C(N)=O)cc21.
What is the InChIKey of (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is OYHXAMSMRFXXBH-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-23-7-4-11-8-16(21)19-14-10-15(20-5-2-3-6-20)13(17(18)22)9-12(11)14/h9-11H,2-8H2,1H3,(H2,18,22)(H,19,21)/t11-/m0/s1.
What are the key properties of (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
(4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylsulfanylethyl)-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 95132095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).