6-butyl-4-chloro-2-ethylquinoline

C15H18ClN — CID 43668623

IUPAC6-butyl-4-chloro-2-ethylquinoline
SMILESCCCCc1ccc2nc(CC)cc(Cl)c2c1
InChIInChI=1S/C15H18ClN/c1-3-5-6-11-7-8-15-13(9-11)14(16)10-12(4-2)17-15/h7-10H,3-6H2,1-2H3
InChIKeyWDDBNNDASKLUKO-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.79
Rot. Bonds4

About 6-butyl-4-chloro-2-ethylquinoline

6-butyl-4-chloro-2-ethylquinoline (PubChem CID 43668623) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 6-butyl-4-chloro-2-ethylquinoline.

Molecular Properties

Compound Name6-butyl-4-chloro-2-ethylquinoline
PubChem CID43668623
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name6-butyl-4-chloro-2-ethylquinoline
SMILESCCCCc1ccc2nc(CC)cc(Cl)c2c1
InChIInChI=1S/C15H18ClN/c1-3-5-6-11-7-8-15-13(9-11)14(16)10-12(4-2)17-15/h7-10H,3-6H2,1-2H3
InChIKeyWDDBNNDASKLUKO-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2,6-dipropylquinoline
CID 43668449
4-butyl-2-chlorobenzaldehyde
CID 106659115
6-butyl-3-ethyl-2-methylquinolin-4-amine
CID 55195960
2-chloro-6-hexyl-4-methylquinoline
CID 86217058
4-chloro-2-decylquinoline
CID 171487257
6-butyl-2,3-dimethylquinolin-4-amine
CID 62202924
4-chloro-2-(difluoromethyl)-6-ethylquinoline
CID 62892996
6-butyl-2-ethyl-3-methylquinolin-4-amine
CID 55221457
4-chloro-2-cyclopropyl-6-propylquinoline
CID 63408646
2,6-diethyl-N-propylquinolin-4-amine
CID 63479884
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-chloro-2-ethylquinoline?
The IUPAC name of 6-butyl-4-chloro-2-ethylquinoline (CID 43668623) is 6-butyl-4-chloro-2-ethylquinoline.
What is the SMILES notation for 6-butyl-4-chloro-2-ethylquinoline?
The canonical SMILES for 6-butyl-4-chloro-2-ethylquinoline is CCCCc1ccc2nc(CC)cc(Cl)c2c1.
What is the InChIKey of 6-butyl-4-chloro-2-ethylquinoline?
The InChIKey is WDDBNNDASKLUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c1-3-5-6-11-7-8-15-13(9-11)14(16)10-12(4-2)17-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-butyl-4-chloro-2-ethylquinoline?
6-butyl-4-chloro-2-ethylquinoline has a molecular weight of 247.77 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-chloro-2-ethylquinoline is sourced from PubChem (CID 43668623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).