N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C23H24N4O3 — CID 51946290

IUPACN-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H24N4O3/c28-21(26-17-10-11-27(15-17)14-16-6-2-1-3-7-16)13-25-23(30)19-12-24-20-9-5-4-8-18(20)22(19)29/h1-9,12,17H,10-11,13-15H2,(H,24,29)(H,25,30)(H,26,28)/t17-/m0/s1
InChIKeyPDYWGCQCHXYFEE-KRWDZBQOSA-N
MW404.47 g/mol
LogP1.65
Rot. Bonds6

About N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 51946290) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID51946290
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H24N4O3/c28-21(26-17-10-11-27(15-17)14-16-6-2-1-3-7-16)13-25-23(30)19-12-24-20-9-5-4-8-18(20)22(19)29/h1-9,12,17H,10-11,13-15H2,(H,24,29)(H,25,30)(H,26,28)/t17-/m0/s1
InChIKeyPDYWGCQCHXYFEE-KRWDZBQOSA-N
XLogP1.65
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
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N-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17418131
N-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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CID 64618361
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
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N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
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N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 51946290) is N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)N[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is PDYWGCQCHXYFEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(26-17-10-11-27(15-17)14-16-6-2-1-3-7-16)13-25-23(30)19-12-24-20-9-5-4-8-18(20)22(19)29/h1-9,12,17H,10-11,13-15H2,(H,24,29)(H,25,30)(H,26,28)/t17-/m0/s1.
What are the key properties of N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51946290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).