4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline

C18H14N4O2 — CID 157160693

IUPAC4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
SMILESCc1cc2nccc(Oc3ccc(N)cc3)c2cc1-c1nnco1
InChIInChI=1S/C18H14N4O2/c1-11-8-16-15(9-14(11)18-22-21-10-23-18)17(6-7-20-16)24-13-4-2-12(19)3-5-13/h2-10H,19H2,1H3
InChIKeyIYPMIRQNUPDSRL-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.97
Rot. Bonds3

About 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline

4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline (PubChem CID 157160693) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
PubChem CID157160693
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
SMILESCc1cc2nccc(Oc3ccc(N)cc3)c2cc1-c1nnco1
InChIInChI=1S/C18H14N4O2/c1-11-8-16-15(9-14(11)18-22-21-10-23-18)17(6-7-20-16)24-13-4-2-12(19)3-5-13/h2-10H,19H2,1H3
InChIKeyIYPMIRQNUPDSRL-UHFFFAOYSA-N
XLogP3.97
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767
4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide
CID 153329906
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
CID 167343301
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
CID 142410654
2-(2-phenoxyphenyl)-1,3,4-oxadiazole
CID 20632510
4-(3,5-difluorophenoxy)quinolin-7-amine
CID 103002316

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline?
The IUPAC name of 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline (CID 157160693) is 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline.
What is the SMILES notation for 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline?
The canonical SMILES for 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline is Cc1cc2nccc(Oc3ccc(N)cc3)c2cc1-c1nnco1.
What is the InChIKey of 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline?
The InChIKey is IYPMIRQNUPDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11-8-16-15(9-14(11)18-22-21-10-23-18)17(6-7-20-16)24-13-4-2-12(19)3-5-13/h2-10H,19H2,1H3.
What are the key properties of 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline?
4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline has a molecular weight of 318.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline is sourced from PubChem (CID 157160693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).