(4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide

C21H19ClN2O4 — CID 156906196

IUPAC(4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide
SMILESCOc1ccc2cncc(NC(=O)[C@@]3(OC)CCOc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C21H19ClN2O4/c1-26-15-5-3-13-11-23-12-18(16(13)10-15)24-20(25)21(27-2)7-8-28-19-6-4-14(22)9-17(19)21/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyRMPFPEAZBNRHOP-OAQYLSRUSA-N
MW398.85 g/mol
LogP4.16
Rot. Bonds4

About (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide

(4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide (PubChem CID 156906196) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide
PubChem CID156906196
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name(4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide
SMILESCOc1ccc2cncc(NC(=O)[C@@]3(OC)CCOc4ccc(Cl)cc43)c2c1
InChIInChI=1S/C21H19ClN2O4/c1-26-15-5-3-13-11-23-12-18(16(13)10-15)24-20(25)21(27-2)7-8-28-19-6-4-14(22)9-17(19)21/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)/t21-/m1/s1
InChIKeyRMPFPEAZBNRHOP-OAQYLSRUSA-N
XLogP4.16
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide (CID 156906196) is (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide is COc1ccc2cncc(NC(=O)[C@@]3(OC)CCOc4ccc(Cl)cc43)c2c1.
What is the InChIKey of (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide?
The InChIKey is RMPFPEAZBNRHOP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-26-15-5-3-13-11-23-12-18(16(13)10-15)24-20(25)21(27-2)7-8-28-19-6-4-14(22)9-17(19)21/h3-6,9-12H,7-8H2,1-2H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide?
(4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-4-methoxy-N-(6-methoxyisoquinolin-4-yl)-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156906196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).