4-(3-methylphenoxy)quinoline

C16H13NO — CID 12798303

IUPAC4-(3-methylphenoxy)quinoline
SMILESCc1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C16H13NO/c1-12-5-4-6-13(11-12)18-16-9-10-17-15-8-3-2-7-14(15)16/h2-11H,1H3
InChIKeyJAUNYZUSACZKLQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.34
Rot. Bonds2

About 4-(3-methylphenoxy)quinoline

4-(3-methylphenoxy)quinoline (PubChem CID 12798303) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-methylphenoxy)quinoline.

Molecular Properties

Compound Name4-(3-methylphenoxy)quinoline
PubChem CID12798303
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-(3-methylphenoxy)quinoline
SMILESCc1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C16H13NO/c1-12-5-4-6-13(11-12)18-16-9-10-17-15-8-3-2-7-14(15)16/h2-11H,1H3
InChIKeyJAUNYZUSACZKLQ-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2-methoxy-5-quinolin-4-yloxyaniline
CID 103202072
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019
2-(3-methylphenoxy)pyrimidine
CID 20603792
4-(4-bromo-3-fluorophenoxy)quinoline
CID 65203118
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
4-(3-methylphenyl)quinoline
CID 146587179
8-(3-methylphenoxy)isoquinolin-5-amine
CID 103139672
2,3-bis(3-methylphenoxy)phenol
CID 139940679
4-methoxyquinoline;4-methylquinoline
CID 71009048
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)quinoline?
The IUPAC name of 4-(3-methylphenoxy)quinoline (CID 12798303) is 4-(3-methylphenoxy)quinoline.
What is the SMILES notation for 4-(3-methylphenoxy)quinoline?
The canonical SMILES for 4-(3-methylphenoxy)quinoline is Cc1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of 4-(3-methylphenoxy)quinoline?
The InChIKey is JAUNYZUSACZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-5-4-6-13(11-12)18-16-9-10-17-15-8-3-2-7-14(15)16/h2-11H,1H3.
What are the key properties of 4-(3-methylphenoxy)quinoline?
4-(3-methylphenoxy)quinoline has a molecular weight of 235.29 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)quinoline is sourced from PubChem (CID 12798303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).