8-benzyl-2-chloroquinoline-3-carbaldehyde

C17H12ClNO — CID 18524035

IUPAC8-benzyl-2-chloroquinoline-3-carbaldehyde
SMILESO=Cc1cc2cccc(Cc3ccccc3)c2nc1Cl
InChIInChI=1S/C17H12ClNO/c18-17-15(11-20)10-14-8-4-7-13(16(14)19-17)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyNMPZJNNVBWUGFZ-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.29
Rot. Bonds3

About 8-benzyl-2-chloroquinoline-3-carbaldehyde

8-benzyl-2-chloroquinoline-3-carbaldehyde (PubChem CID 18524035) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 8-benzyl-2-chloroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-benzyl-2-chloroquinoline-3-carbaldehyde
PubChem CID18524035
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name8-benzyl-2-chloroquinoline-3-carbaldehyde
SMILESO=Cc1cc2cccc(Cc3ccccc3)c2nc1Cl
InChIInChI=1S/C17H12ClNO/c18-17-15(11-20)10-14-8-4-7-13(16(14)19-17)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyNMPZJNNVBWUGFZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-5-chlorobenzaldehyde
CID 121230690
8-chloro-2-phenylquinoline-3-carbaldehyde
CID 86701166
8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol
CID 160520812
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
2-chloro-7,8-dimethylquinoline-3-carbaldehyde
CID 788652
3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
CID 960764
3-benzyl-2-chloroquinoline
CID 14001237
8-benzyl-4-chloroquinazoline
CID 113452546
3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 20983069
3-benzyl-2-chloropyridine
CID 22768075

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-chloroquinoline-3-carbaldehyde?
The IUPAC name of 8-benzyl-2-chloroquinoline-3-carbaldehyde (CID 18524035) is 8-benzyl-2-chloroquinoline-3-carbaldehyde.
What is the SMILES notation for 8-benzyl-2-chloroquinoline-3-carbaldehyde?
The canonical SMILES for 8-benzyl-2-chloroquinoline-3-carbaldehyde is O=Cc1cc2cccc(Cc3ccccc3)c2nc1Cl.
What is the InChIKey of 8-benzyl-2-chloroquinoline-3-carbaldehyde?
The InChIKey is NMPZJNNVBWUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-17-15(11-20)10-14-8-4-7-13(16(14)19-17)9-12-5-2-1-3-6-12/h1-8,10-11H,9H2.
What are the key properties of 8-benzyl-2-chloroquinoline-3-carbaldehyde?
8-benzyl-2-chloroquinoline-3-carbaldehyde has a molecular weight of 281.74 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-chloroquinoline-3-carbaldehyde is sourced from PubChem (CID 18524035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).