6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide

C20H17ClN4O2 — CID 156906865

IUPAC6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide
SMILESNC(=O)N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26)
InChIKeyRKWNGNYSSGAJBH-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.90
Rot. Bonds2

About 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide

6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide (PubChem CID 156906865) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide.

Molecular Properties

Compound Name6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide
PubChem CID156906865
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide
SMILESNC(=O)N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26)
InChIKeyRKWNGNYSSGAJBH-UHFFFAOYSA-N
XLogP3.90
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide 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-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide?
The IUPAC name of 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide (CID 156906865) is 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide.
What is the SMILES notation for 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide?
The canonical SMILES for 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide is NC(=O)N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide?
The InChIKey is RKWNGNYSSGAJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26).
What are the key properties of 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide?
6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-isoquinolin-4-yl-3,4-dihydro-2H-quinoline-1,4-dicarboxamide is sourced from PubChem (CID 156906865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).