(4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide

C20H17ClN2O2 — CID 156907046

IUPAC(4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1c(Cl)ccc2c1[C@H](C(=O)Nc1cncc3ccccc13)CCO2
InChIInChI=1S/C20H17ClN2O2/c1-12-16(21)6-7-18-19(12)15(8-9-25-18)20(24)23-17-11-22-10-13-4-2-3-5-14(13)17/h2-7,10-11,15H,8-9H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyNKJSOSASDLIWEZ-OAHLLOKOSA-N
MW352.82 g/mol
LogP4.70
Rot. Bonds2

About (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide

(4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156907046) 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-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156907046
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1c(Cl)ccc2c1[C@H](C(=O)Nc1cncc3ccccc13)CCO2
InChIInChI=1S/C20H17ClN2O2/c1-12-16(21)6-7-18-19(12)15(8-9-25-18)20(24)23-17-11-22-10-13-4-2-3-5-14(13)17/h2-7,10-11,15H,8-9H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyNKJSOSASDLIWEZ-OAHLLOKOSA-N
XLogP4.70
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 ≤ 54.70
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-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 156907046) is (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide is Cc1c(Cl)ccc2c1[C@H](C(=O)Nc1cncc3ccccc13)CCO2.
What is the InChIKey of (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is NKJSOSASDLIWEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12-16(21)6-7-18-19(12)15(8-9-25-18)20(24)23-17-11-22-10-13-4-2-3-5-14(13)17/h2-7,10-11,15H,8-9H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
(4R)-6-chloro-N-isoquinolin-4-yl-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.70, 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-5-methyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156907046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).