methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate

C21H17N3O3 — CID 139817097

IUPACmethyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
SMILESCOC(=O)Nc1ccc2ccn3c(C(C)=O)c(-c4ccccc4)nc3c2c1
InChIInChI=1S/C21H17N3O3/c1-13(25)19-18(15-6-4-3-5-7-15)23-20-17-12-16(22-21(26)27-2)9-8-14(17)10-11-24(19)20/h3-12H,1-2H3,(H,22,26)
InChIKeyIXAMKDSQIHSIQS-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.54
Rot. Bonds3

About methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate

methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate (PubChem CID 139817097) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
PubChem CID139817097
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Namemethyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
SMILESCOC(=O)Nc1ccc2ccn3c(C(C)=O)c(-c4ccccc4)nc3c2c1
InChIInChI=1S/C21H17N3O3/c1-13(25)19-18(15-6-4-3-5-7-15)23-20-17-12-16(22-21(26)27-2)9-8-14(17)10-11-24(19)20/h3-12H,1-2H3,(H,22,26)
InChIKeyIXAMKDSQIHSIQS-UHFFFAOYSA-N
XLogP4.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[3-amino-2-[2-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817142
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
methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817170
methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817061
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931
methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817049
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
7-methyl-N-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 171983604
methyl N-[3-(methoxycarbonylamino)-6-(4-methoxyphenyl)phenanthridin-8-yl]carbamate
CID 89468188
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
8-(2-methylprop-2-enoxy)-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93203846

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate?
The IUPAC name of methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate (CID 139817097) is methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate.
What is the SMILES notation for methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate?
The canonical SMILES for methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate is COC(=O)Nc1ccc2ccn3c(C(C)=O)c(-c4ccccc4)nc3c2c1.
What is the InChIKey of methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate?
The InChIKey is IXAMKDSQIHSIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13(25)19-18(15-6-4-3-5-7-15)23-20-17-12-16(22-21(26)27-2)9-8-14(17)10-11-24(19)20/h3-12H,1-2H3,(H,22,26).
What are the key properties of methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate?
methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate has a molecular weight of 359.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate is sourced from PubChem (CID 139817097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).