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

C19H14N4O — CID 155535108

IUPAC(E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one
SMILESCc1ccc2c(c1)cc(/C=C/C(=O)c1ccccc1)c1nnnn12
InChIInChI=1S/C19H14N4O/c1-13-7-9-17-16(11-13)12-15(19-20-21-22-23(17)19)8-10-18(24)14-5-3-2-4-6-14/h2-12H,1H3/b10-8+
InChIKeyLCBFYLPKLPPYIF-CSKARUKUSA-N
MW314.35 g/mol
LogP3.48
Rot. Bonds3

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

(E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one (PubChem CID 155535108) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one
PubChem CID155535108
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name(E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one
SMILESCc1ccc2c(c1)cc(/C=C/C(=O)c1ccccc1)c1nnnn12
InChIInChI=1S/C19H14N4O/c1-13-7-9-17-16(11-13)12-15(19-20-21-22-23(17)19)8-10-18(24)14-5-3-2-4-6-14/h2-12H,1H3/b10-8+
InChIKeyLCBFYLPKLPPYIF-CSKARUKUSA-N
XLogP3.48
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one (CID 155535108) is (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one is Cc1ccc2c(c1)cc(/C=C/C(=O)c1ccccc1)c1nnnn12.
What is the InChIKey of (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one?
The InChIKey is LCBFYLPKLPPYIF-CSKARUKUSA-N. The full InChI is InChI=1S/C19H14N4O/c1-13-7-9-17-16(11-13)12-15(19-20-21-22-23(17)19)8-10-18(24)14-5-3-2-4-6-14/h2-12H,1H3/b10-8+.
What are the key properties of (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one?
(E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one has a molecular weight of 314.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-methyltetrazolo[1,5-a]quinolin-4-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 155535108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).