N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

C23H26N4O2 — CID 39984765

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H26N4O2/c28-22-19-8-4-5-9-21(19)25-16-20(22)23(29)24-10-11-26-12-14-27(15-13-26)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H,24,29)(H,25,28)
InChIKeyGUKJCVWIJMSRTR-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39984765) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39984765
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H26N4O2/c28-22-19-8-4-5-9-21(19)25-16-20(22)23(29)24-10-11-26-12-14-27(15-13-26)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H,24,29)(H,25,28)
InChIKeyGUKJCVWIJMSRTR-UHFFFAOYSA-N
XLogP2.08
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51946290
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607891
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 39301758
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 39984765) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GUKJCVWIJMSRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22-19-8-4-5-9-21(19)25-16-20(22)23(29)24-10-11-26-12-14-27(15-13-26)17-18-6-2-1-3-7-18/h1-9,16H,10-15,17H2,(H,24,29)(H,25,28).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39984765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).