methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

C19H14Cl2N4O2 — CID 139817061

IUPACmethyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOC(=O)Nc1ccc2ccn3c(N)c(-c4ccc(Cl)cc4Cl)nc3c2c1
InChIInChI=1S/C19H14Cl2N4O2/c1-27-19(26)23-12-4-2-10-6-7-25-17(22)16(24-18(25)14(10)9-12)13-5-3-11(20)8-15(13)21/h2-9H,22H2,1H3,(H,23,26)
InChIKeyFREWKGIIDCUEFS-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.22
Rot. Bonds2

About methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate

methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (PubChem CID 139817061) has the molecular formula C19H14Cl2N4O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
PubChem CID139817061
Molecular FormulaC19H14Cl2N4O2
Molecular Weight401.25 g/mol
Exact Mass400.05
IUPAC Namemethyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
SMILESCOC(=O)Nc1ccc2ccn3c(N)c(-c4ccc(Cl)cc4Cl)nc3c2c1
InChIInChI=1S/C19H14Cl2N4O2/c1-27-19(26)23-12-4-2-10-6-7-25-17(22)16(24-18(25)14(10)9-12)13-5-3-11(20)8-15(13)21/h2-9H,22H2,1H3,(H,23,26)
InChIKeyFREWKGIIDCUEFS-UHFFFAOYSA-N
XLogP5.22
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.22
H-Bond Donors ≤ 52
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-acetyl-2-phenylimidazo[2,1-a]isoquinolin-9-yl)carbamate
CID 139817097
methyl N-[3-amino-8-methyl-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817049
methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817170
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
2-(2-bromo-5-chlorophenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 66161521
methyl N-(3-chlorophenyl)carbamate
CID 16529
6,8-dichloro-2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114860102
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931
methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
CID 47057995
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The IUPAC name of methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate (CID 139817061) is methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate.
What is the SMILES notation for methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The canonical SMILES for methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is COC(=O)Nc1ccc2ccn3c(N)c(-c4ccc(Cl)cc4Cl)nc3c2c1.
What is the InChIKey of methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
The InChIKey is FREWKGIIDCUEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2/c1-27-19(26)23-12-4-2-10-6-7-25-17(22)16(24-18(25)14(10)9-12)13-5-3-11(20)8-15(13)21/h2-9H,22H2,1H3,(H,23,26).
What are the key properties of methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate?
methyl N-[3-amino-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate has a molecular weight of 401.25 g/mol, XLogP of 5.22, 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-2-(2,4-dichlorophenyl)imidazo[2,1-a]isoquinolin-9-yl]carbamate is sourced from PubChem (CID 139817061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).