1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline

C29H25N — CID 160837559

IUPAC1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
SMILESCc1ccc(Cc2ccnc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H15N.C12H10/c1-13-6-8-14(9-7-13)12-15-10-11-18-17-5-3-2-4-16(15)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-11H,12H2,1H3;1-10H
InChIKeySHPIZDKRSBRHOB-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.49
Rot. Bonds3

About 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline

1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline (PubChem CID 160837559) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline.

Molecular Properties

Compound Name1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
PubChem CID160837559
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
SMILESCc1ccc(Cc2ccnc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H15N.C12H10/c1-13-6-8-14(9-7-13)12-15-10-11-18-17-5-3-2-4-16(15)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-11H,12H2,1H3;1-10H
InChIKeySHPIZDKRSBRHOB-UHFFFAOYSA-N
XLogP7.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(quinolin-4-ylmethyl)phenol
CID 83128983
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575
5-methyl-2-(quinolin-4-ylmethyl)aniline
CID 82766689
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968660
4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine
CID 69371289
7-[4-(quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
9-[(4-methylphenyl)methyl]acridine;hydrochloride
CID 90679776
4-[2-(4-methylphenyl)ethynyl]quinoline
CID 11356949
1-[(4-methylphenyl)methyl]-4-phenylisoquinoline
CID 135030635
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline?
The IUPAC name of 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline (CID 160837559) is 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline.
What is the SMILES notation for 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline?
The canonical SMILES for 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline is Cc1ccc(Cc2ccnc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline?
The InChIKey is SHPIZDKRSBRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.C12H10/c1-13-6-8-14(9-7-13)12-15-10-11-18-17-5-3-2-4-16(15)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-11H,12H2,1H3;1-10H.
What are the key properties of 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline?
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline has a molecular weight of 387.53 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline is sourced from PubChem (CID 160837559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).