methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

C21H20N4O2 — CID 139817049

IUPACmethyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOC(=O)Nc1cc2c(ccn3c(N)c(-c4ccccc4C)nc23)cc1C
InChIInChI=1S/C21H20N4O2/c1-12-6-4-5-7-15(12)18-19(22)25-9-8-14-10-13(2)17(23-21(26)27-3)11-16(14)20(25)24-18/h4-11H,22H2,1-3H3,(H,23,26)
InChIKeySMDFPHFVMXIKDO-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.53
Rot. Bonds2

About methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (PubChem CID 139817049) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
PubChem CID139817049
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Namemethyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOC(=O)Nc1cc2c(ccn3c(N)c(-c4ccccc4C)nc23)cc1C
InChIInChI=1S/C21H20N4O2/c1-12-6-4-5-7-15(12)18-19(22)25-9-8-14-10-13(2)17(23-21(26)27-3)11-16(14)20(25)24-18/h4-11H,22H2,1-3H3,(H,23,26)
InChIKeySMDFPHFVMXIKDO-UHFFFAOYSA-N
XLogP4.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
CID 18691101
methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
CID 18691240
methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817142
2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
CID 18691274
methyl N-[2-(2-methylphenyl)-3-(prop-2-enoxymethyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817016
methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817000
methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817061
methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
CID 139817097
3-amino-2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355928
methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
CID 18691133
2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 154583974
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The IUPAC name of methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (CID 139817049) is methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.
What is the SMILES notation for methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The canonical SMILES for methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is COC(=O)Nc1cc2c(ccn3c(N)c(-c4ccccc4C)nc23)cc1C.
What is the InChIKey of methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The InChIKey is SMDFPHFVMXIKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-6-4-5-7-15(12)18-19(22)25-9-8-14-10-13(2)17(23-21(26)27-3)11-16(14)20(25)24-18/h4-11H,22H2,1-3H3,(H,23,26).
What are the key properties of methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate has a molecular weight of 360.42 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is sourced from PubChem (CID 139817049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).