7-chloro-2-propan-2-ylquinoline-4-carboxylic acid

C13H12ClNO2 — CID 60984699

IUPAC7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c2ccc(Cl)cc2n1
InChIInChI=1S/C13H12ClNO2/c1-7(2)11-6-10(13(16)17)9-4-3-8(14)5-12(9)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyRAYDOXSWIWTJJR-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.71
Rot. Bonds2

About 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid

7-chloro-2-propan-2-ylquinoline-4-carboxylic acid (PubChem CID 60984699) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
PubChem CID60984699
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c2ccc(Cl)cc2n1
InChIInChI=1S/C13H12ClNO2/c1-7(2)11-6-10(13(16)17)9-4-3-8(14)5-12(9)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyRAYDOXSWIWTJJR-UHFFFAOYSA-N
XLogP3.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984412
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
2,7-dichloro-4-methylquinoline-3-carboxylic acid
CID 84635838
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-ylquinoline-4-carbohydrazide
CID 26996817
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 55969204
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
4-bromo-7-chloroquinoline-3-carboxylic acid
CID 97033495

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid (CID 60984699) is 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid is CC(C)c1cc(C(=O)O)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid?
The InChIKey is RAYDOXSWIWTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-7(2)11-6-10(13(16)17)9-4-3-8(14)5-12(9)15-11/h3-7H,1-2H3,(H,16,17).
What are the key properties of 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid?
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid has a molecular weight of 249.70 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-propan-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 60984699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).