2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid

C14H12FNO3 — CID 82246114

IUPAC2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)c2cccc(F)c2n1C1CC1
InChIInChI=1S/C14H12FNO3/c15-11-3-1-2-10-12(17)6-9(7-13(18)19)16(14(10)11)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,19)
InChIKeySEYSWFAKEXPRJK-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.10
Rot. Bonds3

About 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid

2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid (PubChem CID 82246114) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
PubChem CID82246114
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)c2cccc(F)c2n1C1CC1
InChIInChI=1S/C14H12FNO3/c15-11-3-1-2-10-12(17)6-9(7-13(18)19)16(14(10)11)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,19)
InChIKeySEYSWFAKEXPRJK-UHFFFAOYSA-N
XLogP2.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid (CID 82246114) is 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid is O=C(O)Cc1cc(=O)c2cccc(F)c2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid?
The InChIKey is SEYSWFAKEXPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c15-11-3-1-2-10-12(17)6-9(7-13(18)19)16(14(10)11)8-4-5-8/h1-3,6,8H,4-5,7H2,(H,18,19).
What are the key properties of 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid?
2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid has a molecular weight of 261.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid is sourced from PubChem (CID 82246114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).