3,6,8-trichloro-2-methyl-1H-quinolin-4-one

C10H6Cl3NO — CID 121236859

IUPAC3,6,8-trichloro-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1Cl
InChIInChI=1S/C10H6Cl3NO/c1-4-8(13)10(15)6-2-5(11)3-7(12)9(6)14-4/h2-3H,1H3,(H,14,15)
InChIKeyKHSOSZUWEJWOBY-UHFFFAOYSA-N
MW262.52 g/mol
LogP3.80
Rot. Bonds

About 3,6,8-trichloro-2-methyl-1H-quinolin-4-one

3,6,8-trichloro-2-methyl-1H-quinolin-4-one (PubChem CID 121236859) has the molecular formula C10H6Cl3NO and a molecular weight of 262.52 g/mol. Its IUPAC name is 3,6,8-trichloro-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3,6,8-trichloro-2-methyl-1H-quinolin-4-one
PubChem CID121236859
Molecular FormulaC10H6Cl3NO
Molecular Weight262.52 g/mol
Exact Mass260.95
IUPAC Name3,6,8-trichloro-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1Cl
InChIInChI=1S/C10H6Cl3NO/c1-4-8(13)10(15)6-2-5(11)3-7(12)9(6)14-4/h2-3H,1H3,(H,14,15)
InChIKeyKHSOSZUWEJWOBY-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde
CID 65335092
3-chloro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,8-dimethyl-1H-quinolin-4-one
CID 141395526
5,7-dichloro-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381816
N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 65335148
6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide
CID 59323484
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one
CID 54695683
1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
CID 82269510
6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
CID 104845926
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
CID 94830117
3-chloro-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 121236449
1,8-dichloro-3,6-dimethyl-9H-carbazole
CID 156769034

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trichloro-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3,6,8-trichloro-2-methyl-1H-quinolin-4-one (CID 121236859) is 3,6,8-trichloro-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3,6,8-trichloro-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3,6,8-trichloro-2-methyl-1H-quinolin-4-one is Cc1[nH]c2c(Cl)cc(Cl)cc2c(=O)c1Cl.
What is the InChIKey of 3,6,8-trichloro-2-methyl-1H-quinolin-4-one?
The InChIKey is KHSOSZUWEJWOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO/c1-4-8(13)10(15)6-2-5(11)3-7(12)9(6)14-4/h2-3H,1H3,(H,14,15).
What are the key properties of 3,6,8-trichloro-2-methyl-1H-quinolin-4-one?
3,6,8-trichloro-2-methyl-1H-quinolin-4-one has a molecular weight of 262.52 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trichloro-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 121236859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).