(4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide

C19H14ClFN2O2 — CID 156906443

IUPAC(4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1
InChIKeyNNQIVNFMEXUPCH-CYBMUJFWSA-N
MW356.78 g/mol
LogP4.53
Rot. Bonds2

About (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide

(4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156906443) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156906443
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC Name(4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21
InChIInChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1
InChIKeyNNQIVNFMEXUPCH-CYBMUJFWSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide (CID 156906443) is (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is NNQIVNFMEXUPCH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1.
What are the key properties of (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide?
(4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 356.78 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-7-fluoro-N-isoquinolin-4-yl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156906443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).