4-chloroquinoline-7-carbaldehyde;methanol

C11H10ClNO2 — CID 166488648

IUPAC4-chloroquinoline-7-carbaldehyde;methanol
SMILESCO.O=Cc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C10H6ClNO.CH4O/c11-9-3-4-12-10-5-7(6-13)1-2-8(9)10;1-2/h1-6H;2H,1H3
InChIKeyKLHKLXCQXUKJMS-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.31
Rot. Bonds1

About 4-chloroquinoline-7-carbaldehyde;methanol

4-chloroquinoline-7-carbaldehyde;methanol (PubChem CID 166488648) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloroquinoline-7-carbaldehyde;methanol.

Molecular Properties

Compound Name4-chloroquinoline-7-carbaldehyde;methanol
PubChem CID166488648
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4-chloroquinoline-7-carbaldehyde;methanol
SMILESCO.O=Cc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C10H6ClNO.CH4O/c11-9-3-4-12-10-5-7(6-13)1-2-8(9)10;1-2/h1-6H;2H,1H3
InChIKeyKLHKLXCQXUKJMS-UHFFFAOYSA-N
XLogP2.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
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 4-chloroquinoline-7-carbaldehyde;methanol?
The IUPAC name of 4-chloroquinoline-7-carbaldehyde;methanol (CID 166488648) is 4-chloroquinoline-7-carbaldehyde;methanol.
What is the SMILES notation for 4-chloroquinoline-7-carbaldehyde;methanol?
The canonical SMILES for 4-chloroquinoline-7-carbaldehyde;methanol is CO.O=Cc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloroquinoline-7-carbaldehyde;methanol?
The InChIKey is KLHKLXCQXUKJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO.CH4O/c11-9-3-4-12-10-5-7(6-13)1-2-8(9)10;1-2/h1-6H;2H,1H3.
What are the key properties of 4-chloroquinoline-7-carbaldehyde;methanol?
4-chloroquinoline-7-carbaldehyde;methanol has a molecular weight of 223.66 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinoline-7-carbaldehyde;methanol is sourced from PubChem (CID 166488648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).