2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide

C27H26N2O2 — CID 21463261

IUPAC2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide
SMILESCc1cc2c(-c3ccccc3)c(C(=O)NCCc3ccccc3)n(C)c(=O)c2cc1C
InChIInChI=1S/C27H26N2O2/c1-18-16-22-23(17-19(18)2)27(31)29(3)25(24(22)21-12-8-5-9-13-21)26(30)28-15-14-20-10-6-4-7-11-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)
InChIKeyJLYJNRRCTYITDS-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.79
Rot. Bonds5

About 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide

2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide (PubChem CID 21463261) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide
PubChem CID21463261
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide
SMILESCc1cc2c(-c3ccccc3)c(C(=O)NCCc3ccccc3)n(C)c(=O)c2cc1C
InChIInChI=1S/C27H26N2O2/c1-18-16-22-23(17-19(18)2)27(31)29(3)25(24(22)21-12-8-5-9-13-21)26(30)28-15-14-20-10-6-4-7-11-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)
InChIKeyJLYJNRRCTYITDS-UHFFFAOYSA-N
XLogP4.79
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,6,7-tetramethyl-N-[(4-methylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 21463083
2,6,7-trimethyl-4-phenyl-3-(phenylmethoxymethyl)isoquinolin-1-one
CID 67690641
[2-(benzylamino)-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
CID 23859972
1-methyl-2-oxo-N-(2-phenylethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 142275684
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680866
3-methyl-4-oxo-N-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27671024
1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 42789570
1-(thiophen-2-ylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea
CID 15342485
1-(cyclohexylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea
CID 15342486
6-(hydroxymethyl)-2,3-dimethyl-4-phenylisoquinolin-1-one
CID 71130369
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 45490612

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide?
The IUPAC name of 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide (CID 21463261) is 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide is Cc1cc2c(-c3ccccc3)c(C(=O)NCCc3ccccc3)n(C)c(=O)c2cc1C.
What is the InChIKey of 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide?
The InChIKey is JLYJNRRCTYITDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-18-16-22-23(17-19(18)2)27(31)29(3)25(24(22)21-12-8-5-9-13-21)26(30)28-15-14-20-10-6-4-7-11-20/h4-13,16-17H,14-15H2,1-3H3,(H,28,30).
What are the key properties of 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide?
2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 21463261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).