(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide

C20H17ClN2O3 — CID 156906260

IUPAC(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyFRAUGLSYTUOOAF-FQEVSTJZSA-N
MW368.82 g/mol
LogP4.15
Rot. Bonds3

About (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide

(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (PubChem CID 156906260) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
PubChem CID156906260
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
SMILESCO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyFRAUGLSYTUOOAF-FQEVSTJZSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide (CID 156906260) is (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21.
What is the InChIKey of (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
The InChIKey is FRAUGLSYTUOOAF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide?
(4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156906260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).