methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate

C22H21N3O2 — CID 18691133

IUPACmethyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c1ccn1c(N(C)C)c(-c3ccccc3C)nc21
InChIInChI=1S/C22H21N3O2/c1-14-8-5-6-9-15(14)19-21(24(2)3)25-13-12-16-17(20(25)23-19)10-7-11-18(16)22(26)27-4/h5-13H,1-4H3
InChIKeyXHFQHWHJALLFRN-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.32
Rot. Bonds3

About methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate

methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate (PubChem CID 18691133) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
PubChem CID18691133
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Namemethyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate
SMILESCOC(=O)c1cccc2c1ccn1c(N(C)C)c(-c3ccccc3C)nc21
InChIInChI=1S/C22H21N3O2/c1-14-8-5-6-9-15(14)19-21(24(2)3)25-13-12-16-17(20(25)23-19)10-7-11-18(16)22(26)27-4/h5-13H,1-4H3
InChIKeyXHFQHWHJALLFRN-UHFFFAOYSA-N
XLogP4.32
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
The IUPAC name of methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate (CID 18691133) is methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
The canonical SMILES for methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate is COC(=O)c1cccc2c1ccn1c(N(C)C)c(-c3ccccc3C)nc21.
What is the InChIKey of methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
The InChIKey is XHFQHWHJALLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-8-5-6-9-15(14)19-21(24(2)3)25-13-12-16-17(20(25)23-19)10-7-11-18(16)22(26)27-4/h5-13H,1-4H3.
What are the key properties of methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate?
methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-(2-methylphenyl)imidazo[2,1-a]isoquinoline-7-carboxylate is sourced from PubChem (CID 18691133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).