4-chloro-7-hexoxyquinoline

C15H18ClNO — CID 78323998

IUPAC4-chloro-7-hexoxyquinoline
SMILESCCCCCCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C15H18ClNO/c1-2-3-4-5-10-18-12-6-7-13-14(16)8-9-17-15(13)11-12/h6-9,11H,2-5,10H2,1H3
InChIKeyXGWYUAYKDVJXJA-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.85
Rot. Bonds6

About 4-chloro-7-hexoxyquinoline

4-chloro-7-hexoxyquinoline (PubChem CID 78323998) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-chloro-7-hexoxyquinoline.

Molecular Properties

Compound Name4-chloro-7-hexoxyquinoline
PubChem CID78323998
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name4-chloro-7-hexoxyquinoline
SMILESCCCCCCOc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C15H18ClNO/c1-2-3-4-5-10-18-12-6-7-13-14(16)8-9-17-15(13)11-12/h6-9,11H,2-5,10H2,1H3
InChIKeyXGWYUAYKDVJXJA-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-7-hexoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
7-hexoxy-4-(7-hexoxyquinolin-4-yl)sulfanylquinoline
CID 139772929
4-chloro-7-(2-phenylethoxy)quinoline
CID 78324294
N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
CID 78324298
4-bromo-7-propoxyquinoline
CID 119087802
2,6,9,10-tetra(nonoxy)anthracene
CID 139930263
6-tridecoxyquinoline
CID 174908858
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-heptoxybenzene-1,2-diamine
CID 54795786
1,4-dipentoxybenzene
CID 18314717
2-chloro-4-decoxybenzonitrile
CID 102724082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-hexoxyquinoline?
The IUPAC name of 4-chloro-7-hexoxyquinoline (CID 78323998) is 4-chloro-7-hexoxyquinoline.
What is the SMILES notation for 4-chloro-7-hexoxyquinoline?
The canonical SMILES for 4-chloro-7-hexoxyquinoline is CCCCCCOc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloro-7-hexoxyquinoline?
The InChIKey is XGWYUAYKDVJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-3-4-5-10-18-12-6-7-13-14(16)8-9-17-15(13)11-12/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 4-chloro-7-hexoxyquinoline?
4-chloro-7-hexoxyquinoline has a molecular weight of 263.77 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-hexoxyquinoline is sourced from PubChem (CID 78323998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).