2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane

C20H20Cl3N — CID 174779810

IUPAC2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane
SMILESCCCCCCl.Clc1ccc(-c2cc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H9Cl2N.C5H11Cl/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17;1-2-3-4-5-6/h1-9H;2-5H2,1H3
InChIKeyNRRLQNWYSSESQR-UHFFFAOYSA-N
MW380.75 g/mol
LogP7.62
Rot. Bonds4

About 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane

2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane (PubChem CID 174779810) has the molecular formula C20H20Cl3N and a molecular weight of 380.75 g/mol. Its IUPAC name is 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane.

Molecular Properties

Compound Name2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane
PubChem CID174779810
Molecular FormulaC20H20Cl3N
Molecular Weight380.75 g/mol
Exact Mass379.07
IUPAC Name2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane
SMILESCCCCCCl.Clc1ccc(-c2cc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H9Cl2N.C5H11Cl/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17;1-2-3-4-5-6/h1-9H;2-5H2,1H3
InChIKeyNRRLQNWYSSESQR-UHFFFAOYSA-N
XLogP7.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane?
The IUPAC name of 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane (CID 174779810) is 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane.
What is the SMILES notation for 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane?
The canonical SMILES for 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane is CCCCCCl.Clc1ccc(-c2cc3ccccc3nc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane?
The InChIKey is NRRLQNWYSSESQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N.C5H11Cl/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17;1-2-3-4-5-6/h1-9H;2-5H2,1H3.
What are the key properties of 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane?
2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane has a molecular weight of 380.75 g/mol, XLogP of 7.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane is sourced from PubChem (CID 174779810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).