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

C21H20N4O3 — CID 139817142

IUPACmethyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOCc1ccccc1-c1nc2c3cc(NC(=O)OC)ccc3ccn2c1N
InChIInChI=1S/C21H20N4O3/c1-27-12-14-5-3-4-6-16(14)18-19(22)25-10-9-13-7-8-15(23-21(26)28-2)11-17(13)20(25)24-18/h3-11H,12,22H2,1-2H3,(H,23,26)
InChIKeyLCAGIINRSFAYQG-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.06
Rot. Bonds4

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

methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate (PubChem CID 139817142) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
PubChem CID139817142
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOCc1ccccc1-c1nc2c3cc(NC(=O)OC)ccc3ccn2c1N
InChIInChI=1S/C21H20N4O3/c1-27-12-14-5-3-4-6-16(14)18-19(22)25-10-9-13-7-8-15(23-21(26)28-2)11-17(13)20(25)24-18/h3-11H,12,22H2,1-2H3,(H,23,26)
InChIKeyLCAGIINRSFAYQG-UHFFFAOYSA-N
XLogP4.06
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl N-[3-[(2-methoxyethylamino)methyl]-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817000
methyl N-[2-(2-methylphenyl)-3-(prop-2-enoxymethyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817016
8-chloro-2-[2-(methoxymethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 103094947
2-(2-methylphenyl)-9-phenylimidazo[2,1-a]isoquinolin-3-amine
CID 18691274
methyl 3-amino-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
CID 18691240
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
3-[2-(methoxymethyl)phenyl]pyrazin-2-amine
CID 112559107
2-[2-(methoxymethyl)phenyl]benzamide
CID 130398791

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The IUPAC name of methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate (CID 139817142) is methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate.
What is the SMILES notation for methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The canonical SMILES for methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate is COCc1ccccc1-c1nc2c3cc(NC(=O)OC)ccc3ccn2c1N.
What is the InChIKey of methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The InChIKey is LCAGIINRSFAYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-12-14-5-3-4-6-16(14)18-19(22)25-10-9-13-7-8-15(23-21(26)28-2)11-17(13)20(25)24-18/h3-11H,12,22H2,1-2H3,(H,23,26).
What are the key properties of methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate?
methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate has a molecular weight of 376.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate is sourced from PubChem (CID 139817142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).