2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid

C18H17NO2S — CID 4001748

IUPAC2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(C(C)C)ccc3n2)s1
InChIInChI=1S/C18H17NO2S/c1-10(2)12-5-6-15-13(8-12)14(18(20)21)9-16(19-15)17-7-4-11(3)22-17/h4-10H,1-3H3,(H,20,21)
InChIKeyHJIOGNZTPFITGW-UHFFFAOYSA-N
MW311.41 g/mol
LogP5.09
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid

2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 4001748) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
PubChem CID4001748
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(C(C)C)ccc3n2)s1
InChIInChI=1S/C18H17NO2S/c1-10(2)12-5-6-15-13(8-12)14(18(20)21)9-16(19-15)17-7-4-11(3)22-17/h4-10H,1-3H3,(H,20,21)
InChIKeyHJIOGNZTPFITGW-UHFFFAOYSA-N
XLogP5.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3998413
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 29041657
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
6-butan-2-yl-2-phenylquinoline-4-carboxylic acid
CID 5183220
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
CID 53016185

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid (CID 4001748) is 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cc(C(C)C)ccc3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is HJIOGNZTPFITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-10(2)12-5-6-15-13(8-12)14(18(20)21)9-16(19-15)17-7-4-11(3)22-17/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid?
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 4001748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).