6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide

C19H15ClN2O2 — CID 156906879

IUPAC6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide
SMILESO=C(Nc1cncc2ccccc12)C1COCc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClN2O2/c20-14-6-5-13-10-24-11-17(16(13)7-14)19(23)22-18-9-21-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H,22,23)
InChIKeyLANOLLUVYHFGJP-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.14
Rot. Bonds2

About 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide

6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide (PubChem CID 156906879) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide
PubChem CID156906879
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide
SMILESO=C(Nc1cncc2ccccc12)C1COCc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClN2O2/c20-14-6-5-13-10-24-11-17(16(13)7-14)19(23)22-18-9-21-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H,22,23)
InChIKeyLANOLLUVYHFGJP-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide 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

5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 156907081
(4S)-6-chloro-N-isoquinolin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 156906351
(4S)-2-acetyl-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 169408294
6-chloro-N-isoquinolin-4-yl-2-(oxolan-3-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 156906297
6-chloro-2-(cyclopropanecarbonyl)-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 156906303
6-chloro-N-isoquinolin-4-yl-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 169423149
(4S)-6-chloro-4-N-isoquinolin-4-yl-2-N,2-N-dimethyl-3,4-dihydro-1H-isoquinoline-2,4-dicarboxamide
CID 169408304
(4R)-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 169408281
6-chloro-N-isoquinolin-4-yl-2-(2-methylpropylsulfonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 169423142
1-acetyl-6-chloro-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 156906871
(4S)-6-chloro-2-(1H-imidazol-2-ylsulfonyl)-N-isoquinolin-4-yl-3,4-dihydro-1H-isoquinoline-4-carboxamide
CID 169408302
methyl 2-[[(4S)-6-chloro-4-(isoquinolin-4-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl-methylamino]acetate
CID 169408328

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide?
The IUPAC name of 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide (CID 156906879) is 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide is O=C(Nc1cncc2ccccc12)C1COCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide?
The InChIKey is LANOLLUVYHFGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-14-6-5-13-10-24-11-17(16(13)7-14)19(23)22-18-9-21-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H,22,23).
What are the key properties of 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide?
6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide has a molecular weight of 338.79 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-isoquinolin-4-yl-3,4-dihydro-1H-isochromene-4-carboxamide is sourced from PubChem (CID 156906879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).