[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid

C15H15ClN4O3 — CID 118893512

IUPAC[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid
SMILESO=C(O)NCc1cc2cccc(Cl)c2nc1N1CCNC(=O)C1
InChIInChI=1S/C15H15ClN4O3/c16-11-3-1-2-9-6-10(7-18-15(22)23)14(19-13(9)11)20-5-4-17-12(21)8-20/h1-3,6,18H,4-5,7-8H2,(H,17,21)(H,22,23)
InChIKeyZEERIPXUGRWEFH-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.59
Rot. Bonds3

About [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid

[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid (PubChem CID 118893512) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid
PubChem CID118893512
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid
SMILESO=C(O)NCc1cc2cccc(Cl)c2nc1N1CCNC(=O)C1
InChIInChI=1S/C15H15ClN4O3/c16-11-3-1-2-9-6-10(7-18-15(22)23)14(19-13(9)11)20-5-4-17-12(21)8-20/h1-3,6,18H,4-5,7-8H2,(H,17,21)(H,22,23)
InChIKeyZEERIPXUGRWEFH-UHFFFAOYSA-N
XLogP1.59
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid?
The IUPAC name of [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid (CID 118893512) is [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid.
What is the SMILES notation for [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid?
The canonical SMILES for [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid is O=C(O)NCc1cc2cccc(Cl)c2nc1N1CCNC(=O)C1.
What is the InChIKey of [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid?
The InChIKey is ZEERIPXUGRWEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c16-11-3-1-2-9-6-10(7-18-15(22)23)14(19-13(9)11)20-5-4-17-12(21)8-20/h1-3,6,18H,4-5,7-8H2,(H,17,21)(H,22,23).
What are the key properties of [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid?
[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid has a molecular weight of 334.76 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid is sourced from PubChem (CID 118893512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).