(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone

C15H16ClN3O — CID 126766991

IUPAC(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C15H16ClN3O/c1-10-9-17-6-7-19(10)15(20)13-5-3-11-2-4-12(16)8-14(11)18-13/h2-5,8,10,17H,6-7,9H2,1H3
InChIKeyHFQCOBYOHNUSHC-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.32
Rot. Bonds1

About (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone

(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 126766991) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
PubChem CID126766991
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C15H16ClN3O/c1-10-9-17-6-7-19(10)15(20)13-5-3-11-2-4-12(16)8-14(11)18-13/h2-5,8,10,17H,6-7,9H2,1H3
InChIKeyHFQCOBYOHNUSHC-UHFFFAOYSA-N
XLogP2.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472822
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 126774460
(6-chloro-2-methylquinolin-8-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 155951984
(2-methylpiperazin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 62671508
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 124571060
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705569
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119435711

Frequently Asked Questions

What is the IUPAC name of (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone (CID 126766991) is (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is HFQCOBYOHNUSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-9-17-6-7-19(10)15(20)13-5-3-11-2-4-12(16)8-14(11)18-13/h2-5,8,10,17H,6-7,9H2,1H3.
What are the key properties of (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone?
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone has a molecular weight of 289.77 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 126766991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).