9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine

C19H17N3O — CID 18691101

IUPAC9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
SMILESCOc1ccc2ccn3c(N)c(-c4ccccc4C)nc3c2c1
InChIInChI=1S/C19H17N3O/c1-12-5-3-4-6-15(12)17-18(20)22-10-9-13-7-8-14(23-2)11-16(13)19(22)21-17/h3-11H,20H2,1-2H3
InChIKeyYMWQEOYLTQCJLC-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.05
Rot. Bonds2

About 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine

9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine (PubChem CID 18691101) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine.

Molecular Properties

Compound Name9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
PubChem CID18691101
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
SMILESCOc1ccc2ccn3c(N)c(-c4ccccc4C)nc3c2c1
InChIInChI=1S/C19H17N3O/c1-12-5-3-4-6-15(12)17-18(20)22-10-9-13-7-8-14(23-2)11-16(13)19(22)21-17/h3-11H,20H2,1-2H3
InChIKeyYMWQEOYLTQCJLC-UHFFFAOYSA-N
XLogP4.05
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
SIS3 free base
CID 10138988
Metodesnitazene
CID 26412
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
Sis3
CID 16079005
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine?
The IUPAC name of 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine (CID 18691101) is 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine.
What is the SMILES notation for 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine?
The canonical SMILES for 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine is COc1ccc2ccn3c(N)c(-c4ccccc4C)nc3c2c1.
What is the InChIKey of 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine?
The InChIKey is YMWQEOYLTQCJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-5-3-4-6-15(12)17-18(20)22-10-9-13-7-8-14(23-2)11-16(13)19(22)21-17/h3-11H,20H2,1-2H3.
What are the key properties of 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine?
9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine has a molecular weight of 303.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine is sourced from PubChem (CID 18691101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).