5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde

C14H8ClNO2 — CID 169332397

IUPAC5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3cc(Cl)cnc23)o1
InChIInChI=1S/C14H8ClNO2/c15-10-6-9-2-1-3-12(14(9)16-7-10)13-5-4-11(8-17)18-13/h1-8H
InChIKeyKYYQYLFLQWJMMW-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.96
Rot. Bonds2

About 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde

5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde (PubChem CID 169332397) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde
PubChem CID169332397
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc3cc(Cl)cnc23)o1
InChIInChI=1S/C14H8ClNO2/c15-10-6-9-2-1-3-12(14(9)16-7-10)13-5-4-11(8-17)18-13/h1-8H
InChIKeyKYYQYLFLQWJMMW-UHFFFAOYSA-N
XLogP3.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylquinolin-8-yl)furan-2-carbaldehyde
CID 55152319
8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
CID 169335149
5-quinazolin-5-ylfuran-2-carbaldehyde
CID 169335692
5-(4-bromo-2,5-dichlorophenyl)furan-2-carbaldehyde
CID 91674669
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 22562092
2-chloro-6-(5-formylfuran-2-yl)benzonitrile
CID 169331860
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-(2,3,4-trichlorophenyl)furan-2-carbaldehyde
CID 169332109
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
4-chloro-3-(5-formylfuran-2-yl)benzonitrile
CID 99965456

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde (CID 169332397) is 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc3cc(Cl)cnc23)o1.
What is the InChIKey of 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde?
The InChIKey is KYYQYLFLQWJMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-10-6-9-2-1-3-12(14(9)16-7-10)13-5-4-11(8-17)18-13/h1-8H.
What are the key properties of 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde?
5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde has a molecular weight of 257.68 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroquinolin-8-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169332397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).