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

C22H21NO — CID 13010672

IUPAC4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3c2CCCC3)cc1
InChIInChI=1S/C22H21NO/c1-24-18-13-11-16(12-14-18)20-15-22(17-7-3-2-4-8-17)23-21-10-6-5-9-19(20)21/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeyNMGXLSSMJAJXSJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.30
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline (PubChem CID 13010672) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
PubChem CID13010672
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3c2CCCC3)cc1
InChIInChI=1S/C22H21NO/c1-24-18-13-11-16(12-14-18)20-15-22(17-7-3-2-4-8-17)23-21-10-6-5-9-19(20)21/h2-4,7-8,11-15H,5-6,9-10H2,1H3
InChIKeyNMGXLSSMJAJXSJ-UHFFFAOYSA-N
XLogP5.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 3321214
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
5-(4-methoxyphenyl)-4,7-diphenyl-2,3-dihydro-1H-indene
CID 53473730
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
CID 15020616
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-(4-methoxyphenyl)-9-methyl-4-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[2,3-b]azepine
CID 11617171

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline (CID 13010672) is 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline is COc1ccc(-c2cc(-c3ccccc3)nc3c2CCCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is NMGXLSSMJAJXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-24-18-13-11-16(12-14-18)20-15-22(17-7-3-2-4-8-17)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-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline?
4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 315.42 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 13010672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).