(E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one

C17H12N4OS — CID 155521176

IUPAC(E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1ccc2cc(/C=C/C(=O)c3cccs3)c3nnnn3c2c1
InChIInChI=1S/C17H12N4OS/c1-11-4-5-12-10-13(6-7-15(22)16-3-2-8-23-16)17-18-19-20-21(17)14(12)9-11/h2-10H,1H3/b7-6+
InChIKeyDRTCJVPGRPBYRN-VOTSOKGWSA-N
MW320.38 g/mol
LogP3.54
Rot. Bonds3

About (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one

(E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 155521176) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID155521176
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name(E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1ccc2cc(/C=C/C(=O)c3cccs3)c3nnnn3c2c1
InChIInChI=1S/C17H12N4OS/c1-11-4-5-12-10-13(6-7-15(22)16-3-2-8-23-16)17-18-19-20-21(17)14(12)9-11/h2-10H,1H3/b7-6+
InChIKeyDRTCJVPGRPBYRN-VOTSOKGWSA-N
XLogP3.54
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one (CID 155521176) is (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one is Cc1ccc2cc(/C=C/C(=O)c3cccs3)c3nnnn3c2c1.
What is the InChIKey of (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is DRTCJVPGRPBYRN-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-11-4-5-12-10-13(6-7-15(22)16-3-2-8-23-16)17-18-19-20-21(17)14(12)9-11/h2-10H,1H3/b7-6+.
What are the key properties of (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one?
(E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 320.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(8-methyltetrazolo[1,5-a]quinolin-4-yl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 155521176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).