3-bromo-8-chloro-5-methyl-1H-quinolin-4-one

C10H7BrClNO — CID 107627876

IUPAC3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
SMILESCc1ccc(Cl)c2[nH]cc(Br)c(=O)c12
InChIInChI=1S/C10H7BrClNO/c1-5-2-3-7(12)9-8(5)10(14)6(11)4-13-9/h2-4H,1H3,(H,13,14)
InChIKeyRRUJGHADDUQNOB-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.25
Rot. Bonds

About 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one

3-bromo-8-chloro-5-methyl-1H-quinolin-4-one (PubChem CID 107627876) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
PubChem CID107627876
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
SMILESCc1ccc(Cl)c2[nH]cc(Br)c(=O)c12
InChIInChI=1S/C10H7BrClNO/c1-5-2-3-7(12)9-8(5)10(14)6(11)4-13-9/h2-4H,1H3,(H,13,14)
InChIKeyRRUJGHADDUQNOB-UHFFFAOYSA-N
XLogP3.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
8-chloro-3-iodo-5-methyl-1H-quinolin-4-one
CID 107627877
3,4-dibromo-7-chloro-1H-indole
CID 178073407
3,5,8-trimethyl-1H-quinolin-4-one
CID 82278063
3-bromo-7-chloro-4-fluoro-1H-indole
CID 130052193
7-bromo-4-chloro-3-methyl-1H-indole
CID 69463982
(7-chloro-4-methyl-1H-indol-3-yl) thiohypofluorite
CID 143230961
8-chloro-2-ethyl-3,5-dimethyl-1H-quinolin-4-one
CID 107628016
7-chloro-3-methyl-1H-indol-4-ol
CID 131972082
6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
CID 114759607
8-chloro-5-methyl-1H-quinazoline-4-thione
CID 106505701
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one?
The IUPAC name of 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one (CID 107627876) is 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one is Cc1ccc(Cl)c2[nH]cc(Br)c(=O)c12.
What is the InChIKey of 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one?
The InChIKey is RRUJGHADDUQNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-5-2-3-7(12)9-8(5)10(14)6(11)4-13-9/h2-4H,1H3,(H,13,14).
What are the key properties of 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one?
3-bromo-8-chloro-5-methyl-1H-quinolin-4-one has a molecular weight of 272.53 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-5-methyl-1H-quinolin-4-one is sourced from PubChem (CID 107627876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).