2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid

C18H17NO3 — CID 3578967

IUPAC2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cccc(C(C)C)c3n2)o1
InChIInChI=1S/C18H17NO3/c1-10(2)12-5-4-6-13-14(18(20)21)9-15(19-17(12)13)16-8-7-11(3)22-16/h4-10H,1-3H3,(H,20,21)
InChIKeyPBUCZJYIAGETOK-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.62
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid

2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 3578967) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
PubChem CID3578967
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cccc(C(C)C)c3n2)o1
InChIInChI=1S/C18H17NO3/c1-10(2)12-5-4-6-13-14(18(20)21)9-15(19-17(12)13)16-8-7-11(3)22-16/h4-10H,1-3H3,(H,20,21)
InChIKeyPBUCZJYIAGETOK-UHFFFAOYSA-N
XLogP4.62
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid 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

2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3973517
2-(5-bromofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 104653272
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
CID 4234786
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid (CID 3578967) is 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cccc(C(C)C)c3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is PBUCZJYIAGETOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-10(2)12-5-4-6-13-14(18(20)21)9-15(19-17(12)13)16-8-7-11(3)22-16/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid?
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3578967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).