4-(3-methylphenyl)quinoline

C16H13N — CID 146587179

IUPAC4-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccnc3ccccc23)c1
InChIInChI=1S/C16H13N/c1-12-5-4-6-13(11-12)14-9-10-17-16-8-3-2-7-15(14)16/h2-11H,1H3
InChIKeyJZMURXDVMWLYEM-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.21
Rot. Bonds1

About 4-(3-methylphenyl)quinoline

4-(3-methylphenyl)quinoline (PubChem CID 146587179) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(3-methylphenyl)quinoline.

Molecular Properties

Compound Name4-(3-methylphenyl)quinoline
PubChem CID146587179
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name4-(3-methylphenyl)quinoline
SMILESCc1cccc(-c2ccnc3ccccc23)c1
InChIInChI=1S/C16H13N/c1-12-5-4-6-13(11-12)14-9-10-17-16-8-3-2-7-15(14)16/h2-11H,1H3
InChIKeyJZMURXDVMWLYEM-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
4-(3-fluorophenyl)quinoline
CID 141309372
cyclopenta[d][1]benzazepine
CID 90914140
6-methyl-4-phenylquinoline
CID 15512349
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
4-naphthalen-2-ylquinoline
CID 14173372
ethane;7-(3-methylphenyl)-6-(4-naphthalen-1-ylphenyl)quinoline
CID 142621816
1-(2-methyl-4-quinolin-4-ylphenyl)ethanone
CID 142581738
2-methyl-3-(3-methylphenyl)quinoline
CID 126727979
3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 24891714
3-(3-methylphenyl)fluoranthene
CID 123478210

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)quinoline?
The IUPAC name of 4-(3-methylphenyl)quinoline (CID 146587179) is 4-(3-methylphenyl)quinoline.
What is the SMILES notation for 4-(3-methylphenyl)quinoline?
The canonical SMILES for 4-(3-methylphenyl)quinoline is Cc1cccc(-c2ccnc3ccccc23)c1.
What is the InChIKey of 4-(3-methylphenyl)quinoline?
The InChIKey is JZMURXDVMWLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-12-5-4-6-13(11-12)14-9-10-17-16-8-3-2-7-15(14)16/h2-11H,1H3.
What are the key properties of 4-(3-methylphenyl)quinoline?
4-(3-methylphenyl)quinoline has a molecular weight of 219.29 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)quinoline is sourced from PubChem (CID 146587179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).