2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide

C19H26N2O2 — CID 52994369

IUPAC2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H26N2O2/c1-13(2)8-7-9-14(3)20-18(22)17-12-21(4)19(23)16-11-6-5-10-15(16)17/h5-6,10-14H,7-9H2,1-4H3,(H,20,22)
InChIKeyFQOTYXYPVPDIGY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.48
Rot. Bonds6

About 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide

2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 52994369) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide
PubChem CID52994369
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H26N2O2/c1-13(2)8-7-9-14(3)20-18(22)17-12-21(4)19(23)16-11-6-5-10-15(16)17/h5-6,10-14H,7-9H2,1-4H3,(H,20,22)
InChIKeyFQOTYXYPVPDIGY-UHFFFAOYSA-N
XLogP3.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2S)-6-methylheptan-2-yl]-4-oxophthalazine-1-carboxamide
CID 2644365
3-methyl-N-(6-methylheptan-2-yl)-4-oxophthalazine-1-carboxamide
CID 18777449
2-methyl-1-oxo-N-[1-(4-piperidin-1-ylphenyl)ethyl]isoquinoline-4-carboxamide
CID 46977353
N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 53015565
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
N-butan-2-yl-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4653931
methyl 4-[(2-methyl-1-oxoisoquinoline-4-carbonyl)amino]benzoate
CID 52905404
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
CID 4288589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide (CID 52994369) is 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide is CC(C)CCCC(C)NC(=O)c1cn(C)c(=O)c2ccccc12.
What is the InChIKey of 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is FQOTYXYPVPDIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)8-7-9-14(3)20-18(22)17-12-21(4)19(23)16-11-6-5-10-15(16)17/h5-6,10-14H,7-9H2,1-4H3,(H,20,22).
What are the key properties of 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide?
2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methylheptan-2-yl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 52994369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).