N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide

C22H22N2O4 — CID 33082416

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)c1
InChIInChI=1S/C22H22N2O4/c1-27-17-9-10-20(28-2)15(11-17)13-24(16-7-8-16)22(26)19-12-14-5-3-4-6-18(14)21(25)23-19/h3-6,9-12,16H,7-8,13H2,1-2H3,(H,23,25)
InChIKeyVEWLZEWPNKXLHV-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.35
Rot. Bonds6

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 33082416) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID33082416
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)c1
InChIInChI=1S/C22H22N2O4/c1-27-17-9-10-20(28-2)15(11-17)13-24(16-7-8-16)22(26)19-12-14-5-3-4-6-18(14)21(25)23-19/h3-6,9-12,16H,7-8,13H2,1-2H3,(H,23,25)
InChIKeyVEWLZEWPNKXLHV-UHFFFAOYSA-N
XLogP3.35
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55830001
N-cyclopropyl-N-[(3-methylphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 86926399
3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 37279964
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 33078382
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 33078983
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
N-cyclopropyl-N-(3-methylbutan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 47796162
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 33082416) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide is COc1ccc(OC)c(CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is VEWLZEWPNKXLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-17-9-10-20(28-2)15(11-17)13-24(16-7-8-16)22(26)19-12-14-5-3-4-6-18(14)21(25)23-19/h3-6,9-12,16H,7-8,13H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 33082416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).