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

C10H8BrNO — CID 71303282

IUPAC4-(bromomethyl)-4aH-quinolin-2-one
SMILESO=C1C=C(CBr)C2C=CC=CC2=N1
InChIInChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5,8H,6H2
InChIKeyNDJLTJCNOXFUDE-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.03
Rot. Bonds1

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

4-(bromomethyl)-4aH-quinolin-2-one (PubChem CID 71303282) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 4-(bromomethyl)-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-4aH-quinolin-2-one
PubChem CID71303282
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name4-(bromomethyl)-4aH-quinolin-2-one
SMILESO=C1C=C(CBr)C2C=CC=CC2=N1
InChIInChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5,8H,6H2
InChIKeyNDJLTJCNOXFUDE-UHFFFAOYSA-N
XLogP2.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.03
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

4-(bromomethyl)-7,8-difluoro-8H-quinolin-2-one
CID 71650394
8-bromo-7-fluoro-4aH-quinolin-2-one
CID 72540584
4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
CID 74834377
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
6-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 77620930
8-bromo-3-fluoro-8H-quinolin-2-one
CID 85436256
8-fluoro-4-methyl-4aH-quinolin-2-one
CID 118797520
6-fluoro-4-methyl-4aH-quinolin-2-one
CID 178186131
7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one
CID 178187714
4-bromo-6-fluoro-6H-quinolin-2-one
CID 178188753

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4aH-quinolin-2-one?
The IUPAC name of 4-(bromomethyl)-4aH-quinolin-2-one (CID 71303282) is 4-(bromomethyl)-4aH-quinolin-2-one.
What is the SMILES notation for 4-(bromomethyl)-4aH-quinolin-2-one?
The canonical SMILES for 4-(bromomethyl)-4aH-quinolin-2-one is O=C1C=C(CBr)C2C=CC=CC2=N1.
What is the InChIKey of 4-(bromomethyl)-4aH-quinolin-2-one?
The InChIKey is NDJLTJCNOXFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5,8H,6H2.
What are the key properties of 4-(bromomethyl)-4aH-quinolin-2-one?
4-(bromomethyl)-4aH-quinolin-2-one has a molecular weight of 238.08 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4aH-quinolin-2-one is sourced from PubChem (CID 71303282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).