3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one

C16H12INO — CID 139470855

IUPAC3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one
SMILESCc1ccc(-c2cccc3c(=O)c(I)c[nH]c23)cc1
InChIInChI=1S/C16H12INO/c1-10-5-7-11(8-6-10)12-3-2-4-13-15(12)18-9-14(17)16(13)19/h2-9H,1H3,(H,18,19)
InChIKeyFQIPVRQDUSWYOP-UHFFFAOYSA-N
MW361.18 g/mol
LogP4.11
Rot. Bonds1

About 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one

3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one (PubChem CID 139470855) has the molecular formula C16H12INO and a molecular weight of 361.18 g/mol. Its IUPAC name is 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one
PubChem CID139470855
Molecular FormulaC16H12INO
Molecular Weight361.18 g/mol
Exact Mass361.00
IUPAC Name3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one
SMILESCc1ccc(-c2cccc3c(=O)c(I)c[nH]c23)cc1
InChIInChI=1S/C16H12INO/c1-10-5-7-11(8-6-10)12-3-2-4-13-15(12)18-9-14(17)16(13)19/h2-9H,1H3,(H,18,19)
InChIKeyFQIPVRQDUSWYOP-UHFFFAOYSA-N
XLogP4.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one?
The IUPAC name of 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one (CID 139470855) is 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one is Cc1ccc(-c2cccc3c(=O)c(I)c[nH]c23)cc1.
What is the InChIKey of 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one?
The InChIKey is FQIPVRQDUSWYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO/c1-10-5-7-11(8-6-10)12-3-2-4-13-15(12)18-9-14(17)16(13)19/h2-9H,1H3,(H,18,19).
What are the key properties of 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one?
3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one has a molecular weight of 361.18 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8-(4-methylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 139470855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).