3-bromo-4-methyl-4aH-quinolin-2-one

C10H8BrNO — CID 76521602

IUPAC3-bromo-4-methyl-4aH-quinolin-2-one
SMILESCC1=C(Br)C(=O)N=C2C=CC=CC21
InChIInChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5,7H,1H3
InChIKeyCJMWQRFOFGFQDF-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.38
Rot. Bonds

About 3-bromo-4-methyl-4aH-quinolin-2-one

3-bromo-4-methyl-4aH-quinolin-2-one (PubChem CID 76521602) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-bromo-4-methyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name3-bromo-4-methyl-4aH-quinolin-2-one
PubChem CID76521602
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name3-bromo-4-methyl-4aH-quinolin-2-one
SMILESCC1=C(Br)C(=O)N=C2C=CC=CC21
InChIInChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5,7H,1H3
InChIKeyCJMWQRFOFGFQDF-UHFFFAOYSA-N
XLogP2.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,8a-Dimethyl-3-isoquinolinone
CID 129707541
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-8-fluoro-8H-quinolin-2-one
CID 76769440
6-bromo-4-(trifluoromethyl)-4aH-quinolin-2-one
CID 77620930
8-fluoro-4-methyl-4aH-quinolin-2-one
CID 118797520
6-bromo-7-fluoro-4aH-quinolin-2-one
CID 146674693
6-fluoro-4-methyl-4aH-quinolin-2-one
CID 178186131
7-bromo-4-ethyl-6-fluoro-4aH-quinolin-2-one
CID 178187714
7-bromo-8-fluoro-4aH-quinolin-2-one
CID 178188336

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-4aH-quinolin-2-one?
The IUPAC name of 3-bromo-4-methyl-4aH-quinolin-2-one (CID 76521602) is 3-bromo-4-methyl-4aH-quinolin-2-one.
What is the SMILES notation for 3-bromo-4-methyl-4aH-quinolin-2-one?
The canonical SMILES for 3-bromo-4-methyl-4aH-quinolin-2-one is CC1=C(Br)C(=O)N=C2C=CC=CC21.
What is the InChIKey of 3-bromo-4-methyl-4aH-quinolin-2-one?
The InChIKey is CJMWQRFOFGFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-6-7-4-2-3-5-8(7)12-10(13)9(6)11/h2-5,7H,1H3.
What are the key properties of 3-bromo-4-methyl-4aH-quinolin-2-one?
3-bromo-4-methyl-4aH-quinolin-2-one has a molecular weight of 238.08 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-4aH-quinolin-2-one is sourced from PubChem (CID 76521602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).