N-(3-methoxyphenyl)isoquinoline-3-carboxamide

C17H14N2O2 — CID 110859992

IUPACN-(3-methoxyphenyl)isoquinoline-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3cn2)c1
InChIInChI=1S/C17H14N2O2/c1-21-15-8-4-7-14(10-15)19-17(20)16-9-12-5-2-3-6-13(12)11-18-16/h2-11H,1H3,(H,19,20)
InChIKeyDQWFEZXKCUCXQM-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.50
Rot. Bonds3

About N-(3-methoxyphenyl)isoquinoline-3-carboxamide

N-(3-methoxyphenyl)isoquinoline-3-carboxamide (PubChem CID 110859992) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)isoquinoline-3-carboxamide
PubChem CID110859992
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(3-methoxyphenyl)isoquinoline-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccccc3cn2)c1
InChIInChI=1S/C17H14N2O2/c1-21-15-8-4-7-14(10-15)19-17(20)16-9-12-5-2-3-6-13(12)11-18-16/h2-11H,1H3,(H,19,20)
InChIKeyDQWFEZXKCUCXQM-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
5-N-(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 47460212

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)isoquinoline-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)isoquinoline-3-carboxamide (CID 110859992) is N-(3-methoxyphenyl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)isoquinoline-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)isoquinoline-3-carboxamide is COc1cccc(NC(=O)c2cc3ccccc3cn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)isoquinoline-3-carboxamide?
The InChIKey is DQWFEZXKCUCXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-15-8-4-7-14(10-15)19-17(20)16-9-12-5-2-3-6-13(12)11-18-16/h2-11H,1H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)isoquinoline-3-carboxamide?
N-(3-methoxyphenyl)isoquinoline-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 110859992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).