ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate

C18H21N3O2 — CID 142143445

IUPACethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate
SMILESCC.COC(=O)c1cc(-c2cncn2C)nc2cc(C)ccc12
InChIInChI=1S/C16H15N3O2.C2H6/c1-10-4-5-11-12(16(20)21-3)7-14(18-13(11)6-10)15-8-17-9-19(15)2;1-2/h4-9H,1-3H3;1-2H3
InChIKeyBBOHKWZQXGMQHA-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.76
Rot. Bonds2

About ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate

ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate (PubChem CID 142143445) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate
PubChem CID142143445
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Nameethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate
SMILESCC.COC(=O)c1cc(-c2cncn2C)nc2cc(C)ccc12
InChIInChI=1S/C16H15N3O2.C2H6/c1-10-4-5-11-12(16(20)21-3)7-14(18-13(11)6-10)15-8-17-9-19(15)2;1-2/h4-9H,1-3H3;1-2H3
InChIKeyBBOHKWZQXGMQHA-UHFFFAOYSA-N
XLogP3.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate 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 2-(3-methylimidazol-4-yl)-1,5-naphthyridine-4-carboxylate
CID 20753067
methyl 6-(methoxymethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate
CID 71192102
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
methyl 4-(3-methylimidazol-4-yl)-1,3-thiazole-2-carboxylate
CID 172595710
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
CID 84626017
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
CID 144675088
N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
CID 171911939
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
CID 142338592

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate?
The IUPAC name of ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate (CID 142143445) is ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate?
The canonical SMILES for ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate is CC.COC(=O)c1cc(-c2cncn2C)nc2cc(C)ccc12.
What is the InChIKey of ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate?
The InChIKey is BBOHKWZQXGMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2.C2H6/c1-10-4-5-11-12(16(20)21-3)7-14(18-13(11)6-10)15-8-17-9-19(15)2;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate?
ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate has a molecular weight of 311.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 7-methyl-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate is sourced from PubChem (CID 142143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).