(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C20H21ClN2O4 — CID 71276317

IUPAC(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2C1=O
InChIInChI=1S/C20H21ClN2O4/c1-26-10-9-23-12-16(14-5-3-4-6-15(14)20(23)25)19(24)22-13-7-8-18(27-2)17(21)11-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyCFTRUWBLZAWLNX-INIZCTEOSA-N
MW388.85 g/mol
LogP3.17
Rot. Bonds6

About (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 71276317) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID71276317
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOCCN1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2C1=O
InChIInChI=1S/C20H21ClN2O4/c1-26-10-9-23-12-16(14-5-3-4-6-15(14)20(23)25)19(24)22-13-7-8-18(27-2)17(21)11-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyCFTRUWBLZAWLNX-INIZCTEOSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

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(3R,3aS,6aS)-N-(3-chloro-4-methoxyphenyl)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;hydrochloride
CID 171710655
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CID 110650141
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
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N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
(4R)-1-oxo-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethoxy)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
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(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 71276317) is (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COCCN1C[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2C1=O.
What is the InChIKey of (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is CFTRUWBLZAWLNX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-26-10-9-23-12-16(14-5-3-4-6-15(14)20(23)25)19(24)22-13-7-8-18(27-2)17(21)11-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
(4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 71276317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).