N-(4-methoxyphenyl)isoquinoline-6-carboxamide

C17H14N2O2 — CID 110485186

IUPACN-(4-methoxyphenyl)isoquinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cnccc3c2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-16-6-4-15(5-7-16)19-17(20)13-2-3-14-11-18-9-8-12(14)10-13/h2-11H,1H3,(H,19,20)
InChIKeyAKXHNVQBHVZAOO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.50
Rot. Bonds3

About N-(4-methoxyphenyl)isoquinoline-6-carboxamide

N-(4-methoxyphenyl)isoquinoline-6-carboxamide (PubChem CID 110485186) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)isoquinoline-6-carboxamide
PubChem CID110485186
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(4-methoxyphenyl)isoquinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cnccc3c2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-16-6-4-15(5-7-16)19-17(20)13-2-3-14-11-18-9-8-12(14)10-13/h2-11H,1H3,(H,19,20)
InChIKeyAKXHNVQBHVZAOO-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

6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
N-ethylisoquinoline-6-carboxamide
CID 110485080
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)isoquinoline-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)isoquinoline-6-carboxamide (CID 110485186) is N-(4-methoxyphenyl)isoquinoline-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)isoquinoline-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)isoquinoline-6-carboxamide is COc1ccc(NC(=O)c2ccc3cnccc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)isoquinoline-6-carboxamide?
The InChIKey is AKXHNVQBHVZAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-16-6-4-15(5-7-16)19-17(20)13-2-3-14-11-18-9-8-12(14)10-13/h2-11H,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)isoquinoline-6-carboxamide?
N-(4-methoxyphenyl)isoquinoline-6-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-(4-methoxyphenyl)isoquinoline-6-carboxamide is sourced from PubChem (CID 110485186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).