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

C9H7ClINO — CID 175622515

IUPAC7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(I)c2ccc(Cl)cc2N1
InChIInChI=1S/C9H7ClINO/c10-5-1-2-6-7(11)4-9(13)12-8(6)3-5/h1-3,7H,4H2,(H,12,13)
InChIKeyDNTRHORSZGMYNT-UHFFFAOYSA-N
MW307.52 g/mol
LogP3.16
Rot. Bonds

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

7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one (PubChem CID 175622515) has the molecular formula C9H7ClINO and a molecular weight of 307.52 g/mol. Its IUPAC name is 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one
PubChem CID175622515
Molecular FormulaC9H7ClINO
Molecular Weight307.52 g/mol
Exact Mass306.93
IUPAC Name7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(I)c2ccc(Cl)cc2N1
InChIInChI=1S/C9H7ClINO/c10-5-1-2-6-7(11)4-9(13)12-8(6)3-5/h1-3,7H,4H2,(H,12,13)
InChIKeyDNTRHORSZGMYNT-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one (CID 175622515) is 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one is O=C1CC(I)c2ccc(Cl)cc2N1.
What is the InChIKey of 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DNTRHORSZGMYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClINO/c10-5-1-2-6-7(11)4-9(13)12-8(6)3-5/h1-3,7H,4H2,(H,12,13).
What are the key properties of 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one?
7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 307.52 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-iodo-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 175622515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).