(E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one

C20H16N4O2 — CID 155568651

IUPAC(E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3n3nnnc23)cc1
InChIInChI=1S/C20H16N4O2/c1-13-3-9-18-16(11-13)12-15(20-21-22-23-24(18)20)6-10-19(25)14-4-7-17(26-2)8-5-14/h3-12H,1-2H3/b10-6+
InChIKeyGEWPUHKQUQBGHQ-UXBLZVDNSA-N
MW344.37 g/mol
LogP3.49
Rot. Bonds4

About (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one

(E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one (PubChem CID 155568651) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one
PubChem CID155568651
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3n3nnnc23)cc1
InChIInChI=1S/C20H16N4O2/c1-13-3-9-18-16(11-13)12-15(20-21-22-23-24(18)20)6-10-19(25)14-4-7-17(26-2)8-5-14/h3-12H,1-2H3/b10-6+
InChIKeyGEWPUHKQUQBGHQ-UXBLZVDNSA-N
XLogP3.49
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one (CID 155568651) is (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3n3nnnc23)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one?
The InChIKey is GEWPUHKQUQBGHQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-3-9-18-16(11-13)12-15(20-21-22-23-24(18)20)6-10-19(25)14-4-7-17(26-2)8-5-14/h3-12H,1-2H3/b10-6+.
What are the key properties of (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one?
(E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one has a molecular weight of 344.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 155568651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).