7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde

C12H8ClNO3 — CID 2771949

IUPAC7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde
SMILESO=Cc1cc2cc3c(cc2nc1Cl)OCCO3
InChIInChI=1S/C12H8ClNO3/c13-12-8(6-15)3-7-4-10-11(5-9(7)14-12)17-2-1-16-10/h3-6H,1-2H2
InChIKeyQRUKDHRPKVWTHQ-UHFFFAOYSA-N
MW249.65 g/mol
LogP2.47
Rot. Bonds1

About 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde

7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde (PubChem CID 2771949) has the molecular formula C12H8ClNO3 and a molecular weight of 249.65 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde
PubChem CID2771949
Molecular FormulaC12H8ClNO3
Molecular Weight249.65 g/mol
Exact Mass249.02
IUPAC Name7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde
SMILESO=Cc1cc2cc3c(cc2nc1Cl)OCCO3
InChIInChI=1S/C12H8ClNO3/c13-12-8(6-15)3-7-4-10-11(5-9(7)14-12)17-2-1-16-10/h3-6H,1-2H2
InChIKeyQRUKDHRPKVWTHQ-UHFFFAOYSA-N
XLogP2.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde?
The IUPAC name of 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde (CID 2771949) is 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde.
What is the SMILES notation for 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde?
The canonical SMILES for 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde is O=Cc1cc2cc3c(cc2nc1Cl)OCCO3.
What is the InChIKey of 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde?
The InChIKey is QRUKDHRPKVWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3/c13-12-8(6-15)3-7-4-10-11(5-9(7)14-12)17-2-1-16-10/h3-6H,1-2H2.
What are the key properties of 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde?
7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde has a molecular weight of 249.65 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde is sourced from PubChem (CID 2771949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).