2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide

C22H22N2O3 — CID 172904811

IUPAC2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C3CC3)c(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C22H22N2O3/c1-27-18-9-10-19-16(13-18)14-20(24(22(19)26)17-7-8-17)21(25)23-12-11-15-5-3-2-4-6-15/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3,(H,23,25)
InChIKeyBKFGLYYOZOZIHE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.32
Rot. Bonds6

About 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide

2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide (PubChem CID 172904811) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
PubChem CID172904811
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C3CC3)c(C(=O)NCCc3ccccc3)cc2c1
InChIInChI=1S/C22H22N2O3/c1-27-18-9-10-19-16(13-18)14-20(24(22(19)26)17-7-8-17)21(25)23-12-11-15-5-3-2-4-6-15/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3,(H,23,25)
InChIKeyBKFGLYYOZOZIHE-UHFFFAOYSA-N
XLogP3.32
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172902870
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
CID 4975348
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpyrazole-3-carboxamide
CID 42343543
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide?
The IUPAC name of 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide (CID 172904811) is 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide is COc1ccc2c(=O)n(C3CC3)c(C(=O)NCCc3ccccc3)cc2c1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide?
The InChIKey is BKFGLYYOZOZIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-18-9-10-19-16(13-18)14-20(24(22(19)26)17-7-8-17)21(25)23-12-11-15-5-3-2-4-6-15/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3,(H,23,25).
What are the key properties of 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide?
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 172904811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).