4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one

C12H12BrNO — CID 45025006

IUPAC4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one
SMILESCC1=CC2C(CBr)=CC(=O)N=C2C(C)=C1
InChIInChI=1S/C12H12BrNO/c1-7-3-8(2)12-10(4-7)9(6-13)5-11(15)14-12/h3-5,10H,6H2,1-2H3
InChIKeyCTPOTUHXJFVPRD-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.81
Rot. Bonds1

About 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one

4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one (PubChem CID 45025006) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one
PubChem CID45025006
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one
SMILESCC1=CC2C(CBr)=CC(=O)N=C2C(C)=C1
InChIInChI=1S/C12H12BrNO/c1-7-3-8(2)12-10(4-7)9(6-13)5-11(15)14-12/h3-5,10H,6H2,1-2H3
InChIKeyCTPOTUHXJFVPRD-UHFFFAOYSA-N
XLogP2.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.81
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
4-(bromomethyl)-8-fluoro-4aH-quinolin-2-one
CID 74834377
7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one
CID 178187714
4-(bromomethyl)-4aH-quinolin-2-one
CID 71303282
8-methyl-4aH-quinolin-2-one
CID 71304103
6,8-dimethyl-4aH-quinolin-2-one
CID 71650432
4-(Bromomethyl)-6-chloroquinolin-2(1h)-one
CID 73746939
3-bromo-4-methyl-4aH-quinolin-2-one
CID 76521602
3,4-dimethyl-4aH-quinolin-2-one
CID 76521604
4-methyl-4aH-quinolin-2-one
CID 76521617
8-bromo-5-methyl-4aH-quinolin-2-one
CID 76759262
7-bromo-4-methyl-4aH-quinolin-2-one
CID 78177736

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one?
The IUPAC name of 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one (CID 45025006) is 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one.
What is the SMILES notation for 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one?
The canonical SMILES for 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one is CC1=CC2C(CBr)=CC(=O)N=C2C(C)=C1.
What is the InChIKey of 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one?
The InChIKey is CTPOTUHXJFVPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-7-3-8(2)12-10(4-7)9(6-13)5-11(15)14-12/h3-5,10H,6H2,1-2H3.
What are the key properties of 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one?
4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one has a molecular weight of 266.14 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6,8-dimethyl-4aH-quinolin-2-one is sourced from PubChem (CID 45025006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).