3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid

C20H19NO2 — CID 174865670

IUPAC3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2c(C(C)C)cccc2c1C(=O)O
InChIInChI=1S/C20H19NO2/c1-12(2)15-10-7-11-16-17(20(22)23)13(3)18(21-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3,(H,22,23)
InChIKeyYMZFQXIUCTWTJX-UHFFFAOYSA-N
MW305.38 g/mol
LogP5.03
Rot. Bonds3

About 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid

3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 174865670) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid
PubChem CID174865670
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2c(C(C)C)cccc2c1C(=O)O
InChIInChI=1S/C20H19NO2/c1-12(2)15-10-7-11-16-17(20(22)23)13(3)18(21-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3,(H,22,23)
InChIKeyYMZFQXIUCTWTJX-UHFFFAOYSA-N
XLogP5.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 45157374
3-methyl-8-(2-oxopropyl)-2-phenylquinoline-4-carboxylic acid
CID 174875628
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
CID 46779521
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
CID 19715596
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
3-methyl-N-[1-(2-oxo-1H-pyridin-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 140531580
2-(4-chlorophenyl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3973517
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2-(5-methylfuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 3578967
6-cyclobutyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 122539386

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid (CID 174865670) is 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid is Cc1c(-c2ccccc2)nc2c(C(C)C)cccc2c1C(=O)O.
What is the InChIKey of 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is YMZFQXIUCTWTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-12(2)15-10-7-11-16-17(20(22)23)13(3)18(21-19(15)16)14-8-5-4-6-9-14/h4-12H,1-3H3,(H,22,23).
What are the key properties of 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid?
3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-8-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 174865670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).