2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide

C17H14N2O2 — CID 15075780

IUPAC2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCn1c(C(N)=O)c(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-19-15(16(18)20)14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(19)21/h2-10H,1H3,(H2,18,20)
InChIKeyQZWOKFAQXRRJEG-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.30
Rot. Bonds2

About 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide

2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide (PubChem CID 15075780) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
PubChem CID15075780
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide
SMILESCn1c(C(N)=O)c(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-19-15(16(18)20)14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(19)21/h2-10H,1H3,(H2,18,20)
InChIKeyQZWOKFAQXRRJEG-UHFFFAOYSA-N
XLogP2.30
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The IUPAC name of 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide (CID 15075780) is 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The canonical SMILES for 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide is Cn1c(C(N)=O)c(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
The InChIKey is QZWOKFAQXRRJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-15(16(18)20)14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)17(19)21/h2-10H,1H3,(H2,18,20).
What are the key properties of 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide?
2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide is sourced from PubChem (CID 15075780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).