5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid

C16H17NO2 — CID 112731834

IUPAC5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)cc(C3(C)CC3)nc12
InChIInChI=1S/C16H17NO2/c1-9-4-5-10(2)14-13(9)11(15(18)19)8-12(17-14)16(3)6-7-16/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyUGKFUNREMUKJQP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.60
Rot. Bonds2

About 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid

5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid (PubChem CID 112731834) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid
PubChem CID112731834
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)cc(C3(C)CC3)nc12
InChIInChI=1S/C16H17NO2/c1-9-4-5-10(2)14-13(9)11(15(18)19)8-12(17-14)16(3)6-7-16/h4-5,8H,6-7H2,1-3H3,(H,18,19)
InChIKeyUGKFUNREMUKJQP-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid
CID 3906811
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
3,3,5,8-tetramethyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 79865003
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-(2,1-benzothiazol-3-yl)-5,8-dimethylquinoline-4-carboxylic acid
CID 129027744
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
5,8-dimethylquinoline-2,3-dicarboxylic acid
CID 17039937
1,4-dimethyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
CID 63462653
2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
CID 84630832

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid?
The IUPAC name of 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid (CID 112731834) is 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid?
The canonical SMILES for 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid is Cc1ccc(C)c2c(C(=O)O)cc(C3(C)CC3)nc12.
What is the InChIKey of 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid?
The InChIKey is UGKFUNREMUKJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-9-4-5-10(2)14-13(9)11(15(18)19)8-12(17-14)16(3)6-7-16/h4-5,8H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid?
5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-(1-methylcyclopropyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 112731834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).