methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate

C20H17N3O2 — CID 18691240

IUPACmethyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c1ccn1c(N)c(-c3ccccc3C)nc21
InChIInChI=1S/C20H17N3O2/c1-12-6-3-4-7-13(12)17-18(21)23-11-10-14-15(19(23)22-17)8-5-9-16(14)20(24)25-2/h3-11H,21H2,1-2H3
InChIKeyFIHVSGSHODIPOE-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.83
Rot. Bonds2

About methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate

methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate (PubChem CID 18691240) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
PubChem CID18691240
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Namemethyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c1ccn1c(N)c(-c3ccccc3C)nc21
InChIInChI=1S/C20H17N3O2/c1-12-6-3-4-7-13(12)17-18(21)23-11-10-14-15(19(23)22-17)8-5-9-16(14)20(24)25-2/h3-11H,21H2,1-2H3
InChIKeyFIHVSGSHODIPOE-UHFFFAOYSA-N
XLogP3.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
CID 18691133
2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
CID 18691274
3-amino-2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355928
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817142
methyl 6-(2-methylphenyl)pyridine-2-carboxylate
CID 117222230
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817000
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
The IUPAC name of methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate (CID 18691240) is methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate is COC(=O)c1cccc2c1ccn1c(N)c(-c3ccccc3C)nc21.
What is the InChIKey of methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
The InChIKey is FIHVSGSHODIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-6-3-4-7-13(12)17-18(21)23-11-10-14-15(19(23)22-17)8-5-9-16(14)20(24)25-2/h3-11H,21H2,1-2H3.
What are the key properties of methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate is sourced from PubChem (CID 18691240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).