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

C19H20N4O2 — CID 95140597

IUPAC(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2c1ccccn1
InChIInChI=1S/C19H20N4O2/c20-19(25)14-9-12-13(15-5-1-2-6-21-15)10-18(24)22-16(12)11-17(14)23-7-3-4-8-23/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H2,20,25)(H,22,24)/t13-/m0/s1
InChIKeyLSJLBYGRJAEMPJ-ZDUSSCGKSA-N
MW336.40 g/mol
LogP2.25
Rot. Bonds3

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

(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 95140597) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID95140597
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2c1ccccn1
InChIInChI=1S/C19H20N4O2/c20-19(25)14-9-12-13(15-5-1-2-6-21-15)10-18(24)22-16(12)11-17(14)23-7-3-4-8-23/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H2,20,25)(H,22,24)/t13-/m0/s1
InChIKeyLSJLBYGRJAEMPJ-ZDUSSCGKSA-N
XLogP2.25
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide (CID 95140597) is (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is NC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2c1ccccn1.
What is the InChIKey of (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is LSJLBYGRJAEMPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-19(25)14-9-12-13(15-5-1-2-6-21-15)10-18(24)22-16(12)11-17(14)23-7-3-4-8-23/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H2,20,25)(H,22,24)/t13-/m0/s1.
What are the key properties of (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide?
(4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-4-pyridin-2-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 95140597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).