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

Name: (7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₆ClN₃O — CID 126766991

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	126766991
Molecular Formula	C₁₅H₁₆ClN₃O
Molecular Weight	289.77 g/mol
Exact Mass	289.10
IUPAC Name	(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
SMILES	CC1CNCCN1C(=O)c1ccc2ccc(Cl)cc2n1
InChI	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
InChIKey	HFQCOBYOHNUSHC-UHFFFAOYSA-N
XLogP	2.32
TPSA	45.23 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.77
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 126766991 — identifiers, structure, computed properties (public domain)

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