8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol

C22H18F2N2O3 — CID 159119849

IUPAC8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(=O)O)c2cccc(F)c2n1.Cc1cc(CO)c2cccc(F)c2n1
InChIInChI=1S/C11H8FNO2.C11H10FNO/c1-6-5-8(11(14)15)7-3-2-4-9(12)10(7)13-6;1-7-5-8(6-14)9-3-2-4-10(12)11(9)13-7/h2-5H,1H3,(H,14,15);2-5,14H,6H2,1H3
InChIKeyKFOAKAPTDAOCCU-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.56
Rot. Bonds2

About 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol

8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol (PubChem CID 159119849) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol.

Molecular Properties

Compound Name8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
PubChem CID159119849
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC Name8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(=O)O)c2cccc(F)c2n1.Cc1cc(CO)c2cccc(F)c2n1
InChIInChI=1S/C11H8FNO2.C11H10FNO/c1-6-5-8(11(14)15)7-3-2-4-9(12)10(7)13-6;1-7-5-8(6-14)9-3-2-4-10(12)11(9)13-7/h2-5H,1H3,(H,14,15);2-5,14H,6H2,1H3
InChIKeyKFOAKAPTDAOCCU-UHFFFAOYSA-N
XLogP4.56
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
2-(aminomethyl)-8-fluoroquinoline-4-carboxylic acid
CID 84623455
(8-fluoro-2-methylquinolin-4-yl)methanethiol
CID 82448814
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
8-fluoro-2-methyl-N-phenylquinoline-4-carboxamide
CID 110489296
N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489287
2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 5097101
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060920
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol?
The IUPAC name of 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol (CID 159119849) is 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol.
What is the SMILES notation for 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol?
The canonical SMILES for 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol is Cc1cc(C(=O)O)c2cccc(F)c2n1.Cc1cc(CO)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol?
The InChIKey is KFOAKAPTDAOCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2.C11H10FNO/c1-6-5-8(11(14)15)7-3-2-4-9(12)10(7)13-6;1-7-5-8(6-14)9-3-2-4-10(12)11(9)13-7/h2-5H,1H3,(H,14,15);2-5,14H,6H2,1H3.
What are the key properties of 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol?
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol has a molecular weight of 396.39 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol is sourced from PubChem (CID 159119849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).