3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide

C19H18N2O2 — CID 144514885

IUPAC3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
SMILESCCc1cc2cccc(C(=O)NC)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-3-14-12-13-8-7-11-16(18(22)20-2)17(13)19(23)21(14)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyQOBOCTLNFMGDEV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.91
Rot. Bonds3

About 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide

3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide (PubChem CID 144514885) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
PubChem CID144514885
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
SMILESCCc1cc2cccc(C(=O)NC)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-3-14-12-13-8-7-11-16(18(22)20-2)17(13)19(23)21(14)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H,20,22)
InChIKeyQOBOCTLNFMGDEV-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
8-(3,3-dimethylbut-1-ynyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 144824598
3-ethyl-8-[2-(6-methyl-3-pyridinyl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824660
8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 71291771
3-ethyl-8-[2-(2-methyl-3-pyridinyl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824494
3-ethyl-2-phenyl-8-(2-pyridin-2-ylethynyl)isoquinolin-1-one
CID 144824555
8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144514912
(2R)-N-[3-(3-ethyl-1-oxo-2-phenylisoquinolin-8-yl)prop-2-ynyl]oxolane-2-carboxamide
CID 166669355
N-[3-(3-ethyl-1-oxo-2-phenylisoquinolin-8-yl)prop-2-ynyl]-5-oxooxolane-2-carboxamide
CID 144825011
N-[3-(3-ethyl-1-oxo-2-phenylisoquinolin-8-yl)prop-2-ynyl]-3-oxocyclopentane-1-carboxamide
CID 144824512
3-ethyl-1-oxo-2-phenyl-8-[3-(sulfinatoamino)phenyl]isoquinoline
CID 123331490
8-[2-(1-cyclopropylpyrazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 167067236

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide (CID 144514885) is 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide is CCc1cc2cccc(C(=O)NC)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide?
The InChIKey is QOBOCTLNFMGDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-14-12-13-8-7-11-16(18(22)20-2)17(13)19(23)21(14)15-9-5-4-6-10-15/h4-12H,3H2,1-2H3,(H,20,22).
What are the key properties of 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide?
3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide is sourced from PubChem (CID 144514885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).