2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide

C22H17N3O3 — CID 6625931

IUPAC2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3cccnc3)c3ccccc3c2=O)c1
InChIInChI=1S/C22H17N3O3/c1-28-17-8-4-7-16(12-17)25-14-20(18-9-2-3-10-19(18)22(25)27)21(26)24-15-6-5-11-23-13-15/h2-14H,1H3,(H,24,26)
InChIKeyXVAXXMXLKBXDET-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.65
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide

2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide (PubChem CID 6625931) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
PubChem CID6625931
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3cccnc3)c3ccccc3c2=O)c1
InChIInChI=1S/C22H17N3O3/c1-28-17-8-4-7-16(12-17)25-14-20(18-9-2-3-10-19(18)22(25)27)21(26)24-15-6-5-11-23-13-15/h2-14H,1H3,(H,24,26)
InChIKeyXVAXXMXLKBXDET-UHFFFAOYSA-N
XLogP3.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
methyl 4-[[2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate
CID 22549874
2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 126459305
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
N-(2-cyanophenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 46273520
N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549670
N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 6625975
N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 126478731
pentyl 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092757
pyridin-3-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391481
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549821

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide (CID 6625931) is 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide is COc1cccc(-n2cc(C(=O)Nc3cccnc3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide?
The InChIKey is XVAXXMXLKBXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-17-8-4-7-16(12-17)25-14-20(18-9-2-3-10-19(18)22(25)27)21(26)24-15-6-5-11-23-13-15/h2-14H,1H3,(H,24,26).
What are the key properties of 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide?
2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide is sourced from PubChem (CID 6625931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).