4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline

C22H21N — CID 3321214

IUPAC4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc(-c2cc(-c3ccccc3)nc3c2CCCC3)cc1
InChIInChI=1S/C22H21N/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)23-21-10-6-5-9-19(20)21/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeyXHPUVLIHIDRIGC-UHFFFAOYSA-N
MW299.42 g/mol
LogP5.60
Rot. Bonds2

About 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline

4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 3321214) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID3321214
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESCc1ccc(-c2cc(-c3ccccc3)nc3c2CCCC3)cc1
InChIInChI=1S/C22H21N/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)23-21-10-6-5-9-19(20)21/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeyXHPUVLIHIDRIGC-UHFFFAOYSA-N
XLogP5.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 13010672
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
CID 15020616
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-(3,4-dimethylphenyl)-3-phenyl-5,6,7,8-tetrahydroquinoxaline
CID 4849021
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 135247397
4-chloro-2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037185
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 139636097

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline (CID 3321214) is 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline is Cc1ccc(-c2cc(-c3ccccc3)nc3c2CCCC3)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is XHPUVLIHIDRIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)23-21-10-6-5-9-19(20)21/h2-4,7-8,11-15H,5-6,9-10H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 299.42 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 3321214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).