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

C10H7ClINO — CID 107627877

IUPAC8-chloro-3-iodo-5-methyl-1H-quinolin-4-one
SMILESCc1ccc(Cl)c2[nH]cc(I)c(=O)c12
InChIInChI=1S/C10H7ClINO/c1-5-2-3-6(11)9-8(5)10(14)7(12)4-13-9/h2-4H,1H3,(H,13,14)
InChIKeySFLYUBCXDZONNS-UHFFFAOYSA-N
MW319.53 g/mol
LogP3.09
Rot. Bonds

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

8-chloro-3-iodo-5-methyl-1H-quinolin-4-one (PubChem CID 107627877) has the molecular formula C10H7ClINO and a molecular weight of 319.53 g/mol. Its IUPAC name is 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-iodo-5-methyl-1H-quinolin-4-one
PubChem CID107627877
Molecular FormulaC10H7ClINO
Molecular Weight319.53 g/mol
Exact Mass318.93
IUPAC Name8-chloro-3-iodo-5-methyl-1H-quinolin-4-one
SMILESCc1ccc(Cl)c2[nH]cc(I)c(=O)c12
InChIInChI=1S/C10H7ClINO/c1-5-2-3-6(11)9-8(5)10(14)7(12)4-13-9/h2-4H,1H3,(H,13,14)
InChIKeySFLYUBCXDZONNS-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

3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
CID 107627876
3,5,8-trimethyl-1H-quinolin-4-one
CID 82278063
3-chloro-4-iodo-7-methyl-1H-indole
CID 130052075
(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
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
8-chloro-5-methyl-1H-quinazoline-4-thione
CID 106505701
3-iodo-8-methyl-1H-1,7-naphthyridin-4-one
CID 102941594
8-chloro-4-hydroxy-5-methyl-1H-quinolin-2-one
CID 164656985
4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272
2-chloro-3,5-diiodo-1H-pyridin-4-one
CID 135303894

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one?
The IUPAC name of 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one (CID 107627877) is 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one is Cc1ccc(Cl)c2[nH]cc(I)c(=O)c12.
What is the InChIKey of 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one?
The InChIKey is SFLYUBCXDZONNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClINO/c1-5-2-3-6(11)9-8(5)10(14)7(12)4-13-9/h2-4H,1H3,(H,13,14).
What are the key properties of 8-chloro-3-iodo-5-methyl-1H-quinolin-4-one?
8-chloro-3-iodo-5-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-3-iodo-5-methyl-1H-quinolin-4-one is sourced from PubChem (CID 107627877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).