7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one

C11H12INO — CID 145283835

IUPAC7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc2c(cc1I)CCC(=O)N2
InChIInChI=1S/C11H12INO/c1-2-7-6-10-8(5-9(7)12)3-4-11(14)13-10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyFRUQVUYWJNIONV-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.74
Rot. Bonds1

About 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one

7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one (PubChem CID 145283835) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
PubChem CID145283835
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cc2c(cc1I)CCC(=O)N2
InChIInChI=1S/C11H12INO/c1-2-7-6-10-8(5-9(7)12)3-4-11(14)13-10/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyFRUQVUYWJNIONV-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.74
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

tert-butyl-[2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl]carbamic acid
CID 66982623
2-(6-iodo-2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethyl N-tert-butylcarbamate
CID 174680119
6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 58318174
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
CID 66560026
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
6-(1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116841256
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
ethyl 3-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
CID 2749821
7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one (CID 145283835) is 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one is CCc1cc2c(cc1I)CCC(=O)N2.
What is the InChIKey of 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FRUQVUYWJNIONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c1-2-7-6-10-8(5-9(7)12)3-4-11(14)13-10/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one?
7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.13 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 145283835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).