2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline

C15H14ClN — CID 15020616

IUPAC2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
SMILESClc1cc(-c2ccccc2)c2c(n1)CCCC2
InChIInChI=1S/C15H14ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-3,6-7,10H,4-5,8-9H2
InChIKeyHPOIKUGIRMPSJB-UHFFFAOYSA-N
MW243.74 g/mol
LogP4.28
Rot. Bonds1

About 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline

2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 15020616) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID15020616
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
SMILESClc1cc(-c2ccccc2)c2c(n1)CCCC2
InChIInChI=1S/C15H14ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-3,6-7,10H,4-5,8-9H2
InChIKeyHPOIKUGIRMPSJB-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline (CID 15020616) is 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline is Clc1cc(-c2ccccc2)c2c(n1)CCCC2.
What is the InChIKey of 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is HPOIKUGIRMPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline?
2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 243.74 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 15020616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).