4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C19H14INO — CID 633987

IUPAC4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc(I)c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C19H14INO/c20-14-6-3-5-13(10-14)17-11-18(22)21-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,21,22)
InChIKeyXCVVUYLDLWXNCR-UHFFFAOYSA-N
MW399.23 g/mol
LogP4.92
Rot. Bonds1

About 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 633987) has the molecular formula C19H14INO and a molecular weight of 399.23 g/mol. Its IUPAC name is 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID633987
Molecular FormulaC19H14INO
Molecular Weight399.23 g/mol
Exact Mass399.01
IUPAC Name4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESO=C1CC(c2cccc(I)c2)c2ccc3ccccc3c2N1
InChIInChI=1S/C19H14INO/c20-14-6-3-5-13(10-14)17-11-18(22)21-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,21,22)
InChIKeyXCVVUYLDLWXNCR-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 54.92
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

4-(3-Fluoro-phenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 3149754
4-{3-nitrophenyl}-3,4-dihydrobenzo[h]quinolin-2(1H)-one
CID 2854638
1,4-Dihydrobenzo[f]quinolin-3(2H)-one
CID 12346464
4-(4-methyl-3-nitrophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3131416
N-(1-Pyrenyl)iodoacetamide
CID 122259
N-2-naphthyl-2-(5,6,7,8-tetrahydro-2-naphthalenyl)acetamide
CID 2227269
1-acetyl-4-methyl-3,4-dihydro-1H-spiro[benzo[h]quinoline-2,1'-cyclohexane]
CID 2869135
N-(2,5-dimethylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11-carboxamide
CID 3105009
1-(4-bromophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 4688898
8-methyl-1-(4-methylphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 56663060
4-(2-Fluoro-phenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2898168
1-(3-nitrophenyl)-1,4-dihydrobenzo[f]quinolin-3(2H)-one
CID 2857782

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 633987) is 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is O=C1CC(c2cccc(I)c2)c2ccc3ccccc3c2N1.
What is the InChIKey of 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is XCVVUYLDLWXNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14INO/c20-14-6-3-5-13(10-14)17-11-18(22)21-19-15-7-2-1-4-12(15)8-9-16(17)19/h1-10,17H,11H2,(H,21,22).
What are the key properties of 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 399.23 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 633987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).