2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde

C14H12ClNO — CID 86621504

IUPAC2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde
SMILESO=CC(Cl)C1(c2ccc3ncccc3c2)CC1
InChIInChI=1S/C14H12ClNO/c15-13(9-17)14(5-6-14)11-3-4-12-10(8-11)2-1-7-16-12/h1-4,7-9,13H,5-6H2
InChIKeyTZAKHFGDILNCSO-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.07
Rot. Bonds3

About 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde

2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde (PubChem CID 86621504) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde.

Molecular Properties

Compound Name2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde
PubChem CID86621504
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde
SMILESO=CC(Cl)C1(c2ccc3ncccc3c2)CC1
InChIInChI=1S/C14H12ClNO/c15-13(9-17)14(5-6-14)11-3-4-12-10(8-11)2-1-7-16-12/h1-4,7-9,13H,5-6H2
InChIKeyTZAKHFGDILNCSO-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-1-hydroxy-2-(1-quinolin-6-ylcyclopropyl)ethyl]pyrrole-2,5-diol
CID 91306832
7-quinolin-6-ylbicyclo[4.1.0]heptan-7-amine
CID 79331916
6-(3-bromo-1-methylcyclopentyl)quinoline
CID 116540828
4-(methylamino)-1-quinolin-6-ylcyclohexan-1-ol
CID 81221437
3-quinolin-6-ylpiperidin-3-ol
CID 81216403
quinolin-6-yl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 47081979
quinolin-6-yl formate
CID 57289431
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
CID 81196652
4-ethyl-1-quinolin-6-ylcyclohexan-1-amine
CID 81216009
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
(4S)-2-amino-4,6-dimethyl-6-quinolin-6-yl-3,4-dihydropyridin-5-one
CID 145460831
2,2-dimethyl-4-quinolin-6-yloxan-4-ol
CID 81215986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde?
The IUPAC name of 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde (CID 86621504) is 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde.
What is the SMILES notation for 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde?
The canonical SMILES for 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde is O=CC(Cl)C1(c2ccc3ncccc3c2)CC1.
What is the InChIKey of 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde?
The InChIKey is TZAKHFGDILNCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-13(9-17)14(5-6-14)11-3-4-12-10(8-11)2-1-7-16-12/h1-4,7-9,13H,5-6H2.
What are the key properties of 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde?
2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde has a molecular weight of 245.71 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(1-quinolin-6-ylcyclopropyl)acetaldehyde is sourced from PubChem (CID 86621504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).