6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide

C21H22N2O3 — CID 175651926

IUPAC6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)Nc2ccc(C)cc2)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-4-11-23-19(20(24)22-16-7-5-14(2)6-8-16)13-15-12-17(26-3)9-10-18(15)21(23)25/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)
InChIKeyPYJXOPXVZHFQBG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.98
Rot. Bonds5

About 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide

6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide (PubChem CID 175651926) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
PubChem CID175651926
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide
SMILESCCCn1c(C(=O)Nc2ccc(C)cc2)cc2cc(OC)ccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-4-11-23-19(20(24)22-16-7-5-14(2)6-8-16)13-15-12-17(26-3)9-10-18(15)21(23)25/h5-10,12-13H,4,11H2,1-3H3,(H,22,24)
InChIKeyPYJXOPXVZHFQBG-UHFFFAOYSA-N
XLogP3.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 175651448
N,N-diethyl-6-methoxy-1-oxo-2-propylisoquinoline-3-carboxamide
CID 175651492
N-(4-fluorophenyl)-7-methyl-1-oxo-2-propylisoquinoline-3-carboxamide
CID 172905785
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
3-(2,4-dimethoxyphenyl)-N-(4-methylphenyl)-1-propylpyrazole-5-carboxamide
CID 42879228
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
7-methyl-1-oxo-N,2-dipropylisoquinoline-3-carboxamide
CID 172904548
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159829
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide (CID 175651926) is 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide is CCCn1c(C(=O)Nc2ccc(C)cc2)cc2cc(OC)ccc2c1=O.
What is the InChIKey of 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide?
The InChIKey is PYJXOPXVZHFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-11-23-19(20(24)22-16-7-5-14(2)6-8-16)13-15-12-17(26-3)9-10-18(15)21(23)25/h5-10,12-13H,4,11H2,1-3H3,(H,22,24).
What are the key properties of 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide?
6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylphenyl)-1-oxo-2-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 175651926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).