N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

C24H20N4O4 — CID 22549670

IUPACN-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)Nc3ccc(NC(C)=O)nc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c1-15(29)26-22-12-7-16(13-25-22)27-23(30)21-14-28(17-8-10-18(32-2)11-9-17)24(31)20-6-4-3-5-19(20)21/h3-14H,1-2H3,(H,27,30)(H,25,26,29)
InChIKeyVRBZZOZQDKHMOD-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.61
Rot. Bonds5

About N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 22549670) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID22549670
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc(-n2cc(C(=O)Nc3ccc(NC(C)=O)nc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c1-15(29)26-22-12-7-16(13-25-22)27-23(30)21-14-28(17-8-10-18(32-2)11-9-17)24(31)20-6-4-3-5-19(20)21/h3-14H,1-2H3,(H,27,30)(H,25,26,29)
InChIKeyVRBZZOZQDKHMOD-UHFFFAOYSA-N
XLogP3.61
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
CID 6625931
N-butan-2-yl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4653931
methyl 4-[[2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate
CID 22549874
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
pyridin-2-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391480
2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 126459305
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-N-methyl-1-oxoisoquinoline-4-carboxamide
CID 22549553
pyridin-3-ylmethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 46391481
2-ethoxyethyl 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092714

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide (CID 22549670) is N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide is COc1ccc(-n2cc(C(=O)Nc3ccc(NC(C)=O)nc3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is VRBZZOZQDKHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-15(29)26-22-12-7-16(13-25-22)27-23(30)21-14-28(17-8-10-18(32-2)11-9-17)24(31)20-6-4-3-5-19(20)21/h3-14H,1-2H3,(H,27,30)(H,25,26,29).
What are the key properties of N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22549670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).