6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide

C17H20ClN3O2 — CID 141109799

IUPAC6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H20ClN3O2/c1-2-21-7-3-4-12(21)9-20-17(23)14-10-19-15-6-5-11(18)8-13(15)16(14)22/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyVPOGNIPTADUCSJ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.40
Rot. Bonds4

About 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide

6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 141109799) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID141109799
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H20ClN3O2/c1-2-21-7-3-4-12(21)9-20-17(23)14-10-19-15-6-5-11(18)8-13(15)16(14)22/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyVPOGNIPTADUCSJ-UHFFFAOYSA-N
XLogP2.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111783530
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 11791829
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
7-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857389
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 71706179
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51054939

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 141109799) is 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide is CCN1CCCC1CNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VPOGNIPTADUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-21-7-3-4-12(21)9-20-17(23)14-10-19-15-6-5-11(18)8-13(15)16(14)22/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 141109799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).