7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile

C10H5ClN2O2 — CID 19736614

IUPAC7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile
SMILESN#CC1C(=O)Nc2cc(Cl)ccc2C1=O
InChIInChI=1S/C10H5ClN2O2/c11-5-1-2-6-8(3-5)13-10(15)7(4-12)9(6)14/h1-3,7H,(H,13,15)
InChIKeyIZOADMNXKLRAKL-UHFFFAOYSA-N
MW220.62 g/mol
LogP1.61
Rot. Bonds

About 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile

7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile (PubChem CID 19736614) has the molecular formula C10H5ClN2O2 and a molecular weight of 220.62 g/mol. Its IUPAC name is 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile
PubChem CID19736614
Molecular FormulaC10H5ClN2O2
Molecular Weight220.62 g/mol
Exact Mass220.00
IUPAC Name7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile
SMILESN#CC1C(=O)Nc2cc(Cl)ccc2C1=O
InChIInChI=1S/C10H5ClN2O2/c11-5-1-2-6-8(3-5)13-10(15)7(4-12)9(6)14/h1-3,7H,(H,13,15)
InChIKeyIZOADMNXKLRAKL-UHFFFAOYSA-N
XLogP1.61
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile?
The IUPAC name of 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile (CID 19736614) is 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile?
The canonical SMILES for 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile is N#CC1C(=O)Nc2cc(Cl)ccc2C1=O.
What is the InChIKey of 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile?
The InChIKey is IZOADMNXKLRAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O2/c11-5-1-2-6-8(3-5)13-10(15)7(4-12)9(6)14/h1-3,7H,(H,13,15).
What are the key properties of 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile?
7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile has a molecular weight of 220.62 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dioxo-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 19736614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).