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

C15H14ClN — CID 12798312

IUPAC4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESClc1cc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C15H14ClN/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyYVYUVAVVLIHZES-UHFFFAOYSA-N
MW243.74 g/mol
LogP4.28
Rot. Bonds1

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

4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 12798312) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID12798312
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESClc1cc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C15H14ClN/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-3,6-7,10H,4-5,8-9H2
InChIKeyYVYUVAVVLIHZES-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline (CID 12798312) is 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline is Clc1cc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is YVYUVAVVLIHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline?
4-chloro-2-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 4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 12798312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).