(2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C19H15ClN2O — CID 2355914

IUPAC(2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCc2ccccc2C1
InChIInChI=1S/C19H15ClN2O/c20-18-11-16(15-7-3-4-8-17(15)21-18)19(23)22-10-9-13-5-1-2-6-14(13)12-22/h1-8,11H,9-10,12H2
InChIKeyJIDTXDQBSOZKEY-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.09
Rot. Bonds1

About (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 2355914) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID2355914
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name(2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CCc2ccccc2C1
InChIInChI=1S/C19H15ClN2O/c20-18-11-16(15-7-3-4-8-17(15)21-18)19(23)22-10-9-13-5-1-2-6-14(13)12-22/h1-8,11H,9-10,12H2
InChIKeyJIDTXDQBSOZKEY-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-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 (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 2355914) is (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cc(Cl)nc2ccccc12)N1CCc2ccccc2C1.
What is the InChIKey of (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is JIDTXDQBSOZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-18-11-16(15-7-3-4-8-17(15)21-18)19(23)22-10-9-13-5-1-2-6-14(13)12-22/h1-8,11H,9-10,12H2.
What are the key properties of (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 322.80 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 2355914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).