7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

C12H10ClNO2 — CID 84628273

IUPAC7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3
InChIKeyZOBDJXYAZCCVOG-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.31
Rot. Bonds1

About 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde

7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 84628273) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
PubChem CID84628273
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
SMILESCc1c(C=O)c(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C12H10ClNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3
InChIKeyZOBDJXYAZCCVOG-UHFFFAOYSA-N
XLogP2.31
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde (CID 84628273) is 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is Cc1c(C=O)c(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is ZOBDJXYAZCCVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-9-4-3-8(13)5-11(9)14(2)12(16)10(7)6-15/h3-6H,1-2H3.
What are the key properties of 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde?
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 235.67 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 84628273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).