2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide

C23H19N3O3 — CID 22549822

IUPAC2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3c2=O)c1
InChIInChI=1S/C23H19N3O3/c1-15-10-11-24-21(12-15)25-22(27)20-14-26(16-6-5-7-17(13-16)29-2)23(28)19-9-4-3-8-18(19)20/h3-14H,1-2H3,(H,24,25,27)
InChIKeyXCCKOZHRCPWNIT-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.96
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide

2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 22549822) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID22549822
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3c2=O)c1
InChIInChI=1S/C23H19N3O3/c1-15-10-11-24-21(12-15)25-22(27)20-14-26(16-6-5-7-17(13-16)29-2)23(28)19-9-4-3-8-18(19)20/h3-14H,1-2H3,(H,24,25,27)
InChIKeyXCCKOZHRCPWNIT-UHFFFAOYSA-N
XLogP3.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 126459305
2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
CID 6625931
methyl 4-[[2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate
CID 22549874
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
N-(2-cyanophenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 46273520
N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 6625975
N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549670
2-(3-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)isoquinolin-1-one
CID 22549757
N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 126478731
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide (CID 22549822) is 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide is COc1cccc(-n2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is XCCKOZHRCPWNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-10-11-24-21(12-15)25-22(27)20-14-26(16-6-5-7-17(13-16)29-2)23(28)19-9-4-3-8-18(19)20/h3-14H,1-2H3,(H,24,25,27).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22549822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).