(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide

C19H24N4O3S — CID 131914481

IUPAC(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-13-5-7-17(23)19(24)21-15-8-9-16(22-11-2-3-12-22)18-14(15)6-4-10-20-18/h4,6,8-10,17H,2-3,5,7,11-13H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyMQEDTICVGAUVJV-KRWDZBQOSA-N
MW388.49 g/mol
LogP2.20
Rot. Bonds4

About (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide

(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide (PubChem CID 131914481) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
PubChem CID131914481
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c2ncccc12
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-13-5-7-17(23)19(24)21-15-8-9-16(22-11-2-3-12-22)18-14(15)6-4-10-20-18/h4,6,8-10,17H,2-3,5,7,11-13H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyMQEDTICVGAUVJV-KRWDZBQOSA-N
XLogP2.20
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
CID 131909202
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
CID 131943338
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240591
N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023445
2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131896819
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
N-(8-pyrrolidin-1-ylquinolin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 131908303
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732
N-(1-benzyl-2-oxobenzo[cd]indol-6-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 166950168

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide (CID 131914481) is (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c2ncccc12.
What is the InChIKey of (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is MQEDTICVGAUVJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-27(25,26)23-13-5-7-17(23)19(24)21-15-8-9-16(22-11-2-3-12-22)18-14(15)6-4-10-20-18/h4,6,8-10,17H,2-3,5,7,11-13H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide?
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 131914481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).