2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline

C15H16ClN — CID 63352781

IUPAC2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1CC(Cl)C1CC1
InChIInChI=1S/C15H16ClN/c1-10-8-12-4-2-3-5-14(12)17-15(10)9-13(16)11-6-7-11/h2-5,8,11,13H,6-7,9H2,1H3
InChIKeySUSIFAOMIFLQAT-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline

2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline (PubChem CID 63352781) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline.

Molecular Properties

Compound Name2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline
PubChem CID63352781
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1CC(Cl)C1CC1
InChIInChI=1S/C15H16ClN/c1-10-8-12-4-2-3-5-14(12)17-15(10)9-13(16)11-6-7-11/h2-5,8,11,13H,6-7,9H2,1H3
InChIKeySUSIFAOMIFLQAT-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloropropyl)-3-methylquinoline
CID 63228864
1-(3-methylquinolin-2-yl)propan-2-ol
CID 63229408
3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine
CID 63229243
1-cyclopropyl-2-[(3-methylquinolin-2-yl)amino]ethanol
CID 63296727
3-methyl-2-[(4-methylpiperidin-1-yl)methyl]quinoline
CID 91331683
2-(3-methylquinolin-2-yl)ethanol
CID 154179956
1-methoxy-N-methyl-3-(3-methylquinolin-2-yl)propan-2-amine
CID 63229318
2-(3-methylquinolin-2-yl)acetonitrile
CID 55167268
2-butyl-3-methylquinoline
CID 519104
1-cyclopropyl-2-(3-methylquinoxalin-2-yl)ethanol
CID 63353153
2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine
CID 63352873
2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
CID 63352927

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline?
The IUPAC name of 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline (CID 63352781) is 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline.
What is the SMILES notation for 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline?
The canonical SMILES for 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline is Cc1cc2ccccc2nc1CC(Cl)C1CC1.
What is the InChIKey of 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline?
The InChIKey is SUSIFAOMIFLQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-10-8-12-4-2-3-5-14(12)17-15(10)9-13(16)11-6-7-11/h2-5,8,11,13H,6-7,9H2,1H3.
What are the key properties of 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline?
2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline has a molecular weight of 245.75 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline is sourced from PubChem (CID 63352781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).