methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

C20H20N4O2S — CID 139817170

IUPACmethyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCCNc1c(-c2sccc2C)nc2c3cc(NC(=O)OC)ccc3ccn12
InChIInChI=1S/C20H20N4O2S/c1-4-21-19-16(17-12(2)8-10-27-17)23-18-15-11-14(22-20(25)26-3)6-5-13(15)7-9-24(18)19/h5-11,21H,4H2,1-3H3,(H,22,25)
InChIKeyOOTZXWQFIJQHNV-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.13
Rot. Bonds4

About methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (PubChem CID 139817170) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
PubChem CID139817170
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Namemethyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCCNc1c(-c2sccc2C)nc2c3cc(NC(=O)OC)ccc3ccn12
InChIInChI=1S/C20H20N4O2S/c1-4-21-19-16(17-12(2)8-10-27-17)23-18-15-11-14(22-20(25)26-3)6-5-13(15)7-9-24(18)19/h5-11,21H,4H2,1-3H3,(H,22,25)
InChIKeyOOTZXWQFIJQHNV-UHFFFAOYSA-N
XLogP5.13
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(3-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
CID 139817097
methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817061
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-(methoxymethyl)phenyl]imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817142
ethyl N-(4-methylisoquinolin-6-yl)carbamate
CID 22674159
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate
CID 71295982
N-ethyl-4-(3-methylthiophen-2-yl)phthalazin-1-amine
CID 79991770
N-ethyl-2-(3-methylthiophen-2-yl)pyridin-4-amine
CID 102824886
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The IUPAC name of methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (CID 139817170) is methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.
What is the SMILES notation for methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The canonical SMILES for methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is CCNc1c(-c2sccc2C)nc2c3cc(NC(=O)OC)ccc3ccn12.
What is the InChIKey of methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The InChIKey is OOTZXWQFIJQHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-4-21-19-16(17-12(2)8-10-27-17)23-18-15-11-14(22-20(25)26-3)6-5-13(15)7-9-24(18)19/h5-11,21H,4H2,1-3H3,(H,22,25).
What are the key properties of methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate has a molecular weight of 380.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is sourced from PubChem (CID 139817170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).