7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one

C15H12BrF2NO — CID 125483525

IUPAC7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one
SMILESC=Cc1cc(=O)n(C2CC2)c2c(C)c(Br)c(F)c(F)c12
InChIInChI=1S/C15H12BrF2NO/c1-3-8-6-10(20)19(9-4-5-9)15-7(2)12(16)14(18)13(17)11(8)15/h3,6,9H,1,4-5H2,2H3
InChIKeyRWCYABGAKUUKEE-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.33
Rot. Bonds2

About 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one

7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one (PubChem CID 125483525) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one
PubChem CID125483525
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one
SMILESC=Cc1cc(=O)n(C2CC2)c2c(C)c(Br)c(F)c(F)c12
InChIInChI=1S/C15H12BrF2NO/c1-3-8-6-10(20)19(9-4-5-9)15-7(2)12(16)14(18)13(17)11(8)15/h3,6,9H,1,4-5H2,2H3
InChIKeyRWCYABGAKUUKEE-UHFFFAOYSA-N
XLogP4.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-5,6-difluoro-8-methyl-7-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoquinoline-4-carbaldehyde
CID 162254628
tert-butyl N-[[1-(1-cyclopropyl-4-ethenyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 130287842
4-(aminomethyl)-1-cyclopropyl-5,6-difluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-8-methylquinolin-2-one
CID 130276525
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130274886
7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one
CID 125483468
tert-butyl N-[(7-bromo-1-cyclopropyl-3,6-difluoro-8-methyl-2-oxoquinolin-4-yl)methyl]carbamate
CID 155935423
3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione
CID 173256237
[1-(4-cyano-1-cyclobutyl-5,6-difluoro-8-methyl-2-oxoquinolin-7-yl)-3-fluoropyrrolidin-3-yl]methylcarbamic acid
CID 118864658
ethyl 1-cyclopropyl-5,6,7,8-tetrafluoro-4-oxoquinoline-2-carboxylate
CID 59002982
5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one
CID 67938788
1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione
CID 141041719
1-cyclopropyl-6-fluoro-8-methoxy-7-methyl-4-oxoquinoline-3-carbaldehyde
CID 143437109

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one?
The IUPAC name of 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one (CID 125483525) is 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one.
What is the SMILES notation for 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one?
The canonical SMILES for 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one is C=Cc1cc(=O)n(C2CC2)c2c(C)c(Br)c(F)c(F)c12.
What is the InChIKey of 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one?
The InChIKey is RWCYABGAKUUKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-3-8-6-10(20)19(9-4-5-9)15-7(2)12(16)14(18)13(17)11(8)15/h3,6,9H,1,4-5H2,2H3.
What are the key properties of 7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one?
7-bromo-1-cyclopropyl-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one has a molecular weight of 340.17 g/mol, XLogP of 4.33, 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-4-ethenyl-5,6-difluoro-8-methylquinolin-2-one is sourced from PubChem (CID 125483525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).