3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one

C27H28N2O2 — CID 10251123

IUPAC3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one
SMILESCOc1ccccc1CNCc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C
InChIInChI=1S/C27H28N2O2/c1-18-14-22-23(15-19(18)2)27(30)29(3)24(26(22)20-10-6-5-7-11-20)17-28-16-21-12-8-9-13-25(21)31-4/h5-15,28H,16-17H2,1-4H3
InChIKeyLCUWMEPHTNUQOY-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.12
Rot. Bonds6

About 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one

3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one (PubChem CID 10251123) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one
PubChem CID10251123
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one
SMILESCOc1ccccc1CNCc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C
InChIInChI=1S/C27H28N2O2/c1-18-14-22-23(15-19(18)2)27(30)29(3)24(26(22)20-10-6-5-7-11-20)17-28-16-21-12-8-9-13-25(21)31-4/h5-15,28H,16-17H2,1-4H3
InChIKeyLCUWMEPHTNUQOY-UHFFFAOYSA-N
XLogP5.12
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PF-429242
CID 23661637
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
CID 710674
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
5-methoxy-3-(4-methylphenyl)-2H-isoquinolin-1-one
CID 76284556
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
Isoindolin-2-yl(4-(spiro[chromene-2,4''-piperidine]-4-yl)phenyl)methanone
CID 44254956
N-hydroxy-2-[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198648
Sicdvfqigzixso-uhfffaoysa-
CID 10759138
(2s)-2-(4-Methoxy-3-{[(Pyren-1-Ylcarbonyl)amino]methyl}benzyl)butanoic Acid
CID 25112371

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one?
The IUPAC name of 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one (CID 10251123) is 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one.
What is the SMILES notation for 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one?
The canonical SMILES for 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one is COc1ccccc1CNCc1c(-c2ccccc2)c2cc(C)c(C)cc2c(=O)n1C.
What is the InChIKey of 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one?
The InChIKey is LCUWMEPHTNUQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-18-14-22-23(15-19(18)2)27(30)29(3)24(26(22)20-10-6-5-7-11-20)17-28-16-21-12-8-9-13-25(21)31-4/h5-15,28H,16-17H2,1-4H3.
What are the key properties of 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one?
3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one has a molecular weight of 412.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyphenyl)methylamino]methyl]-2,6,7-trimethyl-4-phenylisoquinolin-1-one is sourced from PubChem (CID 10251123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).