6-[2-(4-methylphenyl)cyclobutyl]quinoline

C20H19N — CID 172635808

IUPAC6-[2-(4-methylphenyl)cyclobutyl]quinoline
SMILESCc1ccc(C2CCC2c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H19N/c1-14-4-6-15(7-5-14)18-9-10-19(18)16-8-11-20-17(13-16)3-2-12-21-20/h2-8,11-13,18-19H,9-10H2,1H3
InChIKeyIRUUSECBXAMAPI-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.20
Rot. Bonds2

About 6-[2-(4-methylphenyl)cyclobutyl]quinoline

6-[2-(4-methylphenyl)cyclobutyl]quinoline (PubChem CID 172635808) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)cyclobutyl]quinoline.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)cyclobutyl]quinoline
PubChem CID172635808
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name6-[2-(4-methylphenyl)cyclobutyl]quinoline
SMILESCc1ccc(C2CCC2c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H19N/c1-14-4-6-15(7-5-14)18-9-10-19(18)16-8-11-20-17(13-16)3-2-12-21-20/h2-8,11-13,18-19H,9-10H2,1H3
InChIKeyIRUUSECBXAMAPI-UHFFFAOYSA-N
XLogP5.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-quinolin-6-ylcyclobutane-1-carboxylic acid
CID 81221529
6-methylquinoline
CID 7059
2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
6-(2-ethylcyclopropyl)quinoline
CID 123627698
6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
CID 127038223
4-methylpyridine;6-methylquinoline
CID 142243578
N-methyl-1-(2-quinolin-6-ylcyclopentyl)methanamine
CID 81222583
6-(3-methylphenyl)quinoline
CID 4185278
6-[2-(4-methylphenyl)ethynyl]quinoline
CID 58362500
iodoethane;6-methylquinoline
CID 160581758
N-methyl-1-(4-methyl-2-quinolin-6-ylcyclohexyl)methanamine
CID 81222497
6-(3-bromocyclopentyl)quinoline
CID 81221641

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)cyclobutyl]quinoline?
The IUPAC name of 6-[2-(4-methylphenyl)cyclobutyl]quinoline (CID 172635808) is 6-[2-(4-methylphenyl)cyclobutyl]quinoline.
What is the SMILES notation for 6-[2-(4-methylphenyl)cyclobutyl]quinoline?
The canonical SMILES for 6-[2-(4-methylphenyl)cyclobutyl]quinoline is Cc1ccc(C2CCC2c2ccc3ncccc3c2)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)cyclobutyl]quinoline?
The InChIKey is IRUUSECBXAMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-14-4-6-15(7-5-14)18-9-10-19(18)16-8-11-20-17(13-16)3-2-12-21-20/h2-8,11-13,18-19H,9-10H2,1H3.
What are the key properties of 6-[2-(4-methylphenyl)cyclobutyl]quinoline?
6-[2-(4-methylphenyl)cyclobutyl]quinoline has a molecular weight of 273.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylphenyl)cyclobutyl]quinoline is sourced from PubChem (CID 172635808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).