6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C20H17ClN2O3 — CID 156906639

IUPAC6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)
InChIKeyFBODVAAXKKPILK-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide

6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156906639) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156906639
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCOc1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24)
InChIKeyFBODVAAXKKPILK-UHFFFAOYSA-N
XLogP4.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 156906639) is 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is COc1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1.
What is the InChIKey of 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is FBODVAAXKKPILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-25-14-4-2-12-10-22-11-18(16(12)9-14)23-20(24)15-6-7-26-19-5-3-13(21)8-17(15)19/h2-5,8-11,15H,6-7H2,1H3,(H,23,24).
What are the key properties of 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156906639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).