4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one

C10H7BrFNO — CID 74834377

IUPAC4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
SMILESO=C1C=C(CBr)C2C=CC=C(F)C2=N1
InChIInChI=1S/C10H7BrFNO/c11-5-6-4-9(14)13-10-7(6)2-1-3-8(10)12/h1-4,7H,5H2
InChIKeyOQGDKYFCUFCSPJ-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.33
Rot. Bonds1

About 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one

4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one (PubChem CID 74834377) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
PubChem CID74834377
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
SMILESO=C1C=C(CBr)C2C=CC=C(F)C2=N1
InChIInChI=1S/C10H7BrFNO/c11-5-6-4-9(14)13-10-7(6)2-1-3-8(10)12/h1-4,7H,5H2
InChIKeyOQGDKYFCUFCSPJ-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-4aH-quinolin-2-one
CID 71304098
4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
CID 71650394
6-fluoro-4aH-quinolin-2-one
CID 71650447
8-fluoro-8H-quinolin-2-one
CID 71650474
8-bromo-7-fluoro-4aH-quinolin-2-one
CID 72540584
5-fluoro-4aH-quinolin-2-one
CID 73200527
7-fluoro-4aH-quinolin-2-one
CID 73516911
6-bromo-4-(trifluoromethyl)-6H-quinolin-2-one
CID 73880018
3-fluoro-4aH-quinolin-2-one
CID 73986618
3-fluoro-4-methyl-4aH-quinolin-2-one
CID 76130808
7-fluoro-4-methyl-4aH-quinolin-2-one
CID 76220766
7-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 76453614

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one?
The IUPAC name of 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one (CID 74834377) is 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one.
What is the SMILES notation for 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one?
The canonical SMILES for 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one is O=C1C=C(CBr)C2C=CC=C(F)C2=N1.
What is the InChIKey of 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one?
The InChIKey is OQGDKYFCUFCSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c11-5-6-4-9(14)13-10-7(6)2-1-3-8(10)12/h1-4,7H,5H2.
What are the key properties of 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one?
4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one has a molecular weight of 256.07 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one is sourced from PubChem (CID 74834377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).