(4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C23H27N3O2 — CID 90732055

IUPAC(4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)C(Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C23H27N3O2/c1-26(21(17-11-12-24-15-17)13-16-7-3-2-4-8-16)23(28)19-14-22(27)25-20-10-6-5-9-18(19)20/h2-10,17,19,21,24H,11-15H2,1H3,(H,25,27)/t17-,19-,21?/m0/s1
InChIKeyNMSVAPRCCWSVDG-PZFGBKGUSA-N
MW377.49 g/mol
LogP2.79
Rot. Bonds5

About (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 90732055) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID90732055
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)C(Cc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C23H27N3O2/c1-26(21(17-11-12-24-15-17)13-16-7-3-2-4-8-16)23(28)19-14-22(27)25-20-10-6-5-9-18(19)20/h2-10,17,19,21,24H,11-15H2,1H3,(H,25,27)/t17-,19-,21?/m0/s1
InChIKeyNMSVAPRCCWSVDG-PZFGBKGUSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 90732055) is (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is CN(C(=O)[C@H]1CC(=O)Nc2ccccc21)C(Cc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NMSVAPRCCWSVDG-PZFGBKGUSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26(21(17-11-12-24-15-17)13-16-7-3-2-4-8-16)23(28)19-14-22(27)25-20-10-6-5-9-18(19)20/h2-10,17,19,21,24H,11-15H2,1H3,(H,25,27)/t17-,19-,21?/m0/s1.
What are the key properties of (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-methyl-2-oxo-N-[2-phenyl-1-[(3S)-pyrrolidin-3-yl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 90732055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).