1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid

C14H11F2NO3 — CID 82248878

IUPAC1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)cc(F)c2n1CC1CC1
InChIInChI=1S/C14H11F2NO3/c15-8-3-9-12(18)5-11(14(19)20)17(6-7-1-2-7)13(9)10(16)4-8/h3-5,7H,1-2,6H2,(H,19,20)
InChIKeyBJYPAQNCGWCZRF-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.39
Rot. Bonds3

About 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid

1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid (PubChem CID 82248878) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid
PubChem CID82248878
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Name1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)cc(F)c2n1CC1CC1
InChIInChI=1S/C14H11F2NO3/c15-8-3-9-12(18)5-11(14(19)20)17(6-7-1-2-7)13(9)10(16)4-8/h3-5,7H,1-2,6H2,(H,19,20)
InChIKeyBJYPAQNCGWCZRF-UHFFFAOYSA-N
XLogP2.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
8-chloro-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-2-carboxylic acid
CID 54337576
1-(cyclopropylmethyl)-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 162425690
1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82244422
2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid
CID 46397780
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249185
4-(cyclopropylmethyl)-1-[2-(2,4,6-trifluorophenyl)acetyl]-1,4-diazepan-5-one
CID 42540206
1-cyclopropyl-6,8-difluoro-2-oxoquinoline-3-carboxylic acid
CID 67593009

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid (CID 82248878) is 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)cc(F)c2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid?
The InChIKey is BJYPAQNCGWCZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-8-3-9-12(18)5-11(14(19)20)17(6-7-1-2-7)13(9)10(16)4-8/h3-5,7H,1-2,6H2,(H,19,20).
What are the key properties of 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid?
1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82248878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).