3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine

C17H18N4O2 — CID 89426764

IUPAC3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
SMILESC=C(N)c1cnc2cc(-c3c(C)noc3C)c(OC)cc2c1N
InChIInChI=1S/C17H18N4O2/c1-8(18)13-7-20-14-5-12(16-9(2)21-23-10(16)3)15(22-4)6-11(14)17(13)19/h5-7H,1,18H2,2-4H3,(H2,19,20)
InChIKeyZQTATCFPIIRASV-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.03
Rot. Bonds3

About 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine

3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine (PubChem CID 89426764) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine.

Molecular Properties

Compound Name3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
PubChem CID89426764
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
SMILESC=C(N)c1cnc2cc(-c3c(C)noc3C)c(OC)cc2c1N
InChIInChI=1S/C17H18N4O2/c1-8(18)13-7-20-14-5-12(16-9(2)21-23-10(16)3)15(22-4)6-11(14)17(13)19/h5-7H,1,18H2,2-4H3,(H2,19,20)
InChIKeyZQTATCFPIIRASV-UHFFFAOYSA-N
XLogP3.03
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine?
The IUPAC name of 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine (CID 89426764) is 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine.
What is the SMILES notation for 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine?
The canonical SMILES for 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine is C=C(N)c1cnc2cc(-c3c(C)noc3C)c(OC)cc2c1N.
What is the InChIKey of 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine?
The InChIKey is ZQTATCFPIIRASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-8(18)13-7-20-14-5-12(16-9(2)21-23-10(16)3)15(22-4)6-11(14)17(13)19/h5-7H,1,18H2,2-4H3,(H2,19,20).
What are the key properties of 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine?
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine is sourced from PubChem (CID 89426764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).