4-chloro-2,3-didecylquinoline

C29H46ClN — CID 141080010

IUPAC4-chloro-2,3-didecylquinoline
SMILESCCCCCCCCCCc1nc2ccccc2c(Cl)c1CCCCCCCCCC
InChIInChI=1S/C29H46ClN/c1-3-5-7-9-11-13-15-17-21-25-27(23-18-16-14-12-10-8-6-4-2)31-28-24-20-19-22-26(28)29(25)30/h19-20,22,24H,3-18,21,23H2,1-2H3
InChIKeyXMKHXLJFZFIHLC-UHFFFAOYSA-N
MW444.15 g/mol
LogP10.25
Rot. Bonds18

About 4-chloro-2,3-didecylquinoline

4-chloro-2,3-didecylquinoline (PubChem CID 141080010) has the molecular formula C29H46ClN and a molecular weight of 444.15 g/mol. Its IUPAC name is 4-chloro-2,3-didecylquinoline.

Molecular Properties

Compound Name4-chloro-2,3-didecylquinoline
PubChem CID141080010
Molecular FormulaC29H46ClN
Molecular Weight444.15 g/mol
Exact Mass443.33
IUPAC Name4-chloro-2,3-didecylquinoline
SMILESCCCCCCCCCCc1nc2ccccc2c(Cl)c1CCCCCCCCCC
InChIInChI=1S/C29H46ClN/c1-3-5-7-9-11-13-15-17-21-25-27(23-18-16-14-12-10-8-6-4-2)31-28-24-20-19-22-26(28)29(25)30/h19-20,22,24H,3-18,21,23H2,1-2H3
InChIKeyXMKHXLJFZFIHLC-UHFFFAOYSA-N
XLogP10.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.15
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2,3-didecylquinoline 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

2-chloro-4-pentadecylquinoline
CID 3679887
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
9-butylacridine
CID 606127
4-chloro-2-decylquinoline
CID 171487257
4-chloro-3-octylisoquinoline
CID 135041207
6-hexyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinoline
CID 86078546
4-hexyl-2-methylquinoline
CID 12861362
4-(5-aminopentyl)-3-pentylquinolin-2-amine;dihydrochloride
CID 126622258
4-pentyl-2-phenylquinazoline
CID 122226497
2-hexyl-4-methylquinoline
CID 504074
2,3-dibutylquinoxaline
CID 14641798
9-(8-acridin-9-yloctyl)acridine
CID 10504492

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-didecylquinoline?
The IUPAC name of 4-chloro-2,3-didecylquinoline (CID 141080010) is 4-chloro-2,3-didecylquinoline.
What is the SMILES notation for 4-chloro-2,3-didecylquinoline?
The canonical SMILES for 4-chloro-2,3-didecylquinoline is CCCCCCCCCCc1nc2ccccc2c(Cl)c1CCCCCCCCCC.
What is the InChIKey of 4-chloro-2,3-didecylquinoline?
The InChIKey is XMKHXLJFZFIHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46ClN/c1-3-5-7-9-11-13-15-17-21-25-27(23-18-16-14-12-10-8-6-4-2)31-28-24-20-19-22-26(28)29(25)30/h19-20,22,24H,3-18,21,23H2,1-2H3.
What are the key properties of 4-chloro-2,3-didecylquinoline?
4-chloro-2,3-didecylquinoline has a molecular weight of 444.15 g/mol, XLogP of 10.25, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-didecylquinoline is sourced from PubChem (CID 141080010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).