2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde

C18H10ClNO2 — CID 22922207

IUPAC2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cccc2cc(-c3ccc4ccc(Cl)cc4n3)oc12
InChIInChI=1S/C18H10ClNO2/c19-14-6-4-11-5-7-15(20-16(11)9-14)17-8-12-2-1-3-13(10-21)18(12)22-17/h1-10H
InChIKeyNSWKGMWWGRIVID-UHFFFAOYSA-N
MW307.74 g/mol
LogP5.11
Rot. Bonds2

About 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde

2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde (PubChem CID 22922207) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde.

Molecular Properties

Compound Name2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde
PubChem CID22922207
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde
SMILESO=Cc1cccc2cc(-c3ccc4ccc(Cl)cc4n3)oc12
InChIInChI=1S/C18H10ClNO2/c19-14-6-4-11-5-7-15(20-16(11)9-14)17-8-12-2-1-3-13(10-21)18(12)22-17/h1-10H
InChIKeyNSWKGMWWGRIVID-UHFFFAOYSA-N
XLogP5.11
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.74
LogP ≤ 55.11
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 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde?
The IUPAC name of 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde (CID 22922207) is 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde.
What is the SMILES notation for 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde?
The canonical SMILES for 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde is O=Cc1cccc2cc(-c3ccc4ccc(Cl)cc4n3)oc12.
What is the InChIKey of 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde?
The InChIKey is NSWKGMWWGRIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO2/c19-14-6-4-11-5-7-15(20-16(11)9-14)17-8-12-2-1-3-13(10-21)18(12)22-17/h1-10H.
What are the key properties of 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde?
2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde has a molecular weight of 307.74 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinolin-2-yl)-1-benzofuran-7-carbaldehyde is sourced from PubChem (CID 22922207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).