(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide

C20H17ClN2O2 — CID 156907049

IUPAC(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide
SMILESC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(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-/m1/s1
InChIKeyCPQDCUNLQZNEBN-HXUWFJFHSA-N
MW352.82 g/mol
LogP4.57
Rot. Bonds2

About (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide

(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide (PubChem CID 156907049) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide
PubChem CID156907049
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide
SMILESC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(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-/m1/s1
InChIKeyCPQDCUNLQZNEBN-HXUWFJFHSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide (CID 156907049) is (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide is C[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide?
The InChIKey is CPQDCUNLQZNEBN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(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-/m1/s1.
What are the key properties of (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide?
(4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-N-isoquinolin-4-yl-4-methyl-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156907049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).