8-chloro-6-iodo-2-methyl-1H-quinolin-4-one

C10H7ClINO — CID 107607566

IUPAC8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(I)cc(Cl)c2[nH]1
InChIInChI=1S/C10H7ClINO/c1-5-2-9(14)7-3-6(12)4-8(11)10(7)13-5/h2-4H,1H3,(H,13,14)
InChIKeyJLTLAEDDDVDUOX-UHFFFAOYSA-N
MW319.53 g/mol
LogP3.09
Rot. Bonds

About 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one

8-chloro-6-iodo-2-methyl-1H-quinolin-4-one (PubChem CID 107607566) has the molecular formula C10H7ClINO and a molecular weight of 319.53 g/mol. Its IUPAC name is 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
PubChem CID107607566
Molecular FormulaC10H7ClINO
Molecular Weight319.53 g/mol
Exact Mass318.93
IUPAC Name8-chloro-6-iodo-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(I)cc(Cl)c2[nH]1
InChIInChI=1S/C10H7ClINO/c1-5-2-9(14)7-3-6(12)4-8(11)10(7)13-5/h2-4H,1H3,(H,13,14)
InChIKeyJLTLAEDDDVDUOX-UHFFFAOYSA-N
XLogP3.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-6-iodo-4-oxo-1H-quinoline-2-carboxylic acid
CID 107608030
8-chloro-2-cyclopropyl-6-iodo-1H-quinolin-4-one
CID 107607576
7-chloro-8-fluoro-2-methyl-1H-quinolin-4-one
CID 43667968
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
2-chloro-6-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130882908
8-(2,4-dichlorophenyl)-2-methyl-1H-quinolin-4-one
CID 11120236
4-iodoaniline;6-iodo-2-methyl-1H-quinolin-4-one
CID 68780891
8-chloro-6-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 107606970
8-amino-2-methyl-1H-quinolin-4-one
CID 21448150
2,3-dichloro-5-methyl-1H-pyrrole
CID 18918860
methyl 2,8-dimethyl-4-oxo-1H-quinoline-6-carboxylate
CID 67775530
1,8-dichloro-3,6-dimethyl-9H-carbazole
CID 156769034

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one?
The IUPAC name of 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one (CID 107607566) is 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2cc(I)cc(Cl)c2[nH]1.
What is the InChIKey of 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one?
The InChIKey is JLTLAEDDDVDUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO/c1-5-2-9(14)7-3-6(12)4-8(11)10(7)13-5/h2-4H,1H3,(H,13,14).
What are the key properties of 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one?
8-chloro-6-iodo-2-methyl-1H-quinolin-4-one has a molecular weight of 319.53 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-iodo-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 107607566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).