(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone

C18H17ClN4O — CID 51107660

IUPAC(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C18H17ClN4O/c19-14-10-13-2-1-5-21-17(13)16(11-14)18(24)22-7-3-15(4-8-22)23-9-6-20-12-23/h1-2,5-6,9-12,15H,3-4,7-8H2
InChIKeyWMJAMDCDSQGYPN-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.56
Rot. Bonds2

About (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone

(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone (PubChem CID 51107660) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
PubChem CID51107660
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C18H17ClN4O/c19-14-10-13-2-1-5-21-17(13)16(11-14)18(24)22-7-3-15(4-8-22)23-9-6-20-12-23/h1-2,5-6,9-12,15H,3-4,7-8H2
InChIKeyWMJAMDCDSQGYPN-UHFFFAOYSA-N
XLogP3.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone (CID 51107660) is (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone is O=C(c1cc(Cl)cc2cccnc12)N1CCC(n2ccnc2)CC1.
What is the InChIKey of (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone?
The InChIKey is WMJAMDCDSQGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-10-13-2-1-5-21-17(13)16(11-14)18(24)22-7-3-15(4-8-22)23-9-6-20-12-23/h1-2,5-6,9-12,15H,3-4,7-8H2.
What are the key properties of (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone?
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 51107660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).