7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one

C14H13BrFNO — CID 57043575

IUPAC7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one
SMILESCCc1cc(=O)c2cc(F)c(Br)cc2n1C1CC1
InChIInChI=1S/C14H13BrFNO/c1-2-8-5-14(18)10-6-12(16)11(15)7-13(10)17(8)9-3-4-9/h5-7,9H,2-4H2,1H3
InChIKeyLIQUCXYVEIGJAU-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.80
Rot. Bonds2

About 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one

7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one (PubChem CID 57043575) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one
PubChem CID57043575
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one
SMILESCCc1cc(=O)c2cc(F)c(Br)cc2n1C1CC1
InChIInChI=1S/C14H13BrFNO/c1-2-8-5-14(18)10-6-12(16)11(15)7-13(10)17(8)9-3-4-9/h5-7,9H,2-4H2,1H3
InChIKeyLIQUCXYVEIGJAU-UHFFFAOYSA-N
XLogP3.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-cyclopropyl-6-fluoro-1H-benzimidazol-2-one
CID 177301925
2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
CID 82247796
7-bromo-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 19807250
2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82250433
8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
CID 145305802
1-cyclopropyl-2-ethylindole-5-carboxamide
CID 145369091
2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82246114
1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
CID 83531011
4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
CID 100589133
5-bromo-6-fluoro-3-(4-hydroxycyclohexyl)-1H-benzimidazole-2-thione
CID 104966779
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
1-cyclopropyl-2-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 142633412

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one?
The IUPAC name of 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one (CID 57043575) is 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one.
What is the SMILES notation for 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one?
The canonical SMILES for 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one is CCc1cc(=O)c2cc(F)c(Br)cc2n1C1CC1.
What is the InChIKey of 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one?
The InChIKey is LIQUCXYVEIGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-2-8-5-14(18)10-6-12(16)11(15)7-13(10)17(8)9-3-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one?
7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one has a molecular weight of 310.17 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyl-2-ethyl-6-fluoroquinolin-4-one is sourced from PubChem (CID 57043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).