methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate

C17H11Cl2N3O2 — CID 53342291

IUPACmethyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate
SMILESCOC(=O)c1c(N)n2c3cc(Cl)c(Cl)cc3nc2c2ccccc12
InChIInChI=1S/C17H11Cl2N3O2/c1-24-17(23)14-8-4-2-3-5-9(8)16-21-12-6-10(18)11(19)7-13(12)22(16)15(14)20/h2-7H,20H2,1H3
InChIKeyRJRRPOPIPROZHD-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.32
Rot. Bonds1

About methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate

methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate (PubChem CID 53342291) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate
PubChem CID53342291
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC Namemethyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate
SMILESCOC(=O)c1c(N)n2c3cc(Cl)c(Cl)cc3nc2c2ccccc12
InChIInChI=1S/C17H11Cl2N3O2/c1-24-17(23)14-8-4-2-3-5-9(8)16-21-12-6-10(18)11(19)7-13(12)22(16)15(14)20/h2-7H,20H2,1H3
InChIKeyRJRRPOPIPROZHD-UHFFFAOYSA-N
XLogP4.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl acridine-9-carboxylate
CID 21211
dimethyl 1-chloro-5-methoxypyrrolo[1,2-a]quinazoline-2,3-dicarboxylate
CID 23239285
methyl 3-chloroisoquinoline-4-carboxylate
CID 71748466
methyl 6,7-dichloro-2-cyclopropyl-4-phenylquinoline-3-carboxylate
CID 86682936
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899
methyl 2-amino-1-(2-chlorophenyl)benzimidazole-5-carboxylate
CID 139659046
methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 23792485
methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 937953
methyl 2-(6,7-dichloro-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)acetate
CID 2798922
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate?
The IUPAC name of methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate (CID 53342291) is methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate.
What is the SMILES notation for methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate?
The canonical SMILES for methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate is COC(=O)c1c(N)n2c3cc(Cl)c(Cl)cc3nc2c2ccccc12.
What is the InChIKey of methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate?
The InChIKey is RJRRPOPIPROZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c1-24-17(23)14-8-4-2-3-5-9(8)16-21-12-6-10(18)11(19)7-13(12)22(16)15(14)20/h2-7H,20H2,1H3.
What are the key properties of methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate?
methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate has a molecular weight of 360.20 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-9,10-dichlorobenzimidazolo[2,1-a]isoquinoline-5-carboxylate is sourced from PubChem (CID 53342291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).