2-chloro-4-quinolin-2-ylbenzaldehyde

C16H10ClNO — CID 116645016

IUPAC2-chloro-4-quinolin-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C16H10ClNO/c17-14-9-12(5-6-13(14)10-19)16-8-7-11-3-1-2-4-15(11)18-16/h1-10H
InChIKeyHXNXMGBSTXHBMW-UHFFFAOYSA-N
MW267.72 g/mol
LogP4.37
Rot. Bonds2

About 2-chloro-4-quinolin-2-ylbenzaldehyde

2-chloro-4-quinolin-2-ylbenzaldehyde (PubChem CID 116645016) has the molecular formula C16H10ClNO and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-4-quinolin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-quinolin-2-ylbenzaldehyde
PubChem CID116645016
Molecular FormulaC16H10ClNO
Molecular Weight267.72 g/mol
Exact Mass267.05
IUPAC Name2-chloro-4-quinolin-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C16H10ClNO/c17-14-9-12(5-6-13(14)10-19)16-8-7-11-3-1-2-4-15(11)18-16/h1-10H
InChIKeyHXNXMGBSTXHBMW-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
CID 116645117
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
3,5-bis[2-(4-quinolin-2-ylphenyl)phenyl]benzoyl chloride;methane
CID 160911064
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
iridium;tris(2-phenylquinoline)
CID 122129463
2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
CID 175663828
dichloroplatinum;2-phenylquinoline
CID 175341425
2-fluoro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090274
2-chloro-4-[6-(2,3-dihydropyridin-2-yl)-2-pyridinyl]benzaldehyde
CID 129163278
2-bromo-4-quinolin-2-ylbenzoic acid
CID 139922205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-quinolin-2-ylbenzaldehyde?
The IUPAC name of 2-chloro-4-quinolin-2-ylbenzaldehyde (CID 116645016) is 2-chloro-4-quinolin-2-ylbenzaldehyde.
What is the SMILES notation for 2-chloro-4-quinolin-2-ylbenzaldehyde?
The canonical SMILES for 2-chloro-4-quinolin-2-ylbenzaldehyde is O=Cc1ccc(-c2ccc3ccccc3n2)cc1Cl.
What is the InChIKey of 2-chloro-4-quinolin-2-ylbenzaldehyde?
The InChIKey is HXNXMGBSTXHBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO/c17-14-9-12(5-6-13(14)10-19)16-8-7-11-3-1-2-4-15(11)18-16/h1-10H.
What are the key properties of 2-chloro-4-quinolin-2-ylbenzaldehyde?
2-chloro-4-quinolin-2-ylbenzaldehyde has a molecular weight of 267.72 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-quinolin-2-ylbenzaldehyde is sourced from PubChem (CID 116645016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).