(E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide

C21H15N3O2S — CID 12005336

IUPAC(E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nn1c(-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C21H15N3O2S/c25-19(13-12-15-7-2-1-3-8-15)23-24-20(18-11-6-14-27-18)22-17-10-5-4-9-16(17)21(24)26/h1-14H,(H,23,25)/b13-12+
InChIKeyQUIKMEYCMPUZEX-OUKQBFOZSA-N
MW373.44 g/mol
LogP3.91
Rot. Bonds4

About (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide

(E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide (PubChem CID 12005336) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide
PubChem CID12005336
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name(E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nn1c(-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C21H15N3O2S/c25-19(13-12-15-7-2-1-3-8-15)23-24-20(18-11-6-14-27-18)22-17-10-5-4-9-16(17)21(24)26/h1-14H,(H,23,25)/b13-12+
InChIKeyQUIKMEYCMPUZEX-OUKQBFOZSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
CID 135414635
N-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)methyl]-3-Phenyl-N-(Thiophen-2-Ylmethyl)propanamide
CID 135478170
N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-2-({[(1E)-1-(thiophen-2-yl)ethylidene]amino}oxy)acetamide
CID 9655585
2,6-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 705286
AC1M37SN
CID 135476414
N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))benzam ide
CID 404716
4-(6-iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzenesulf onamide
CID 404720
6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one
CID 404725
N-(4-Oxo-2-thiophen-2-ylmethyl-4H-quinazolin-3-yl)-2-thiophen-2-yl-acetamide
CID 655409
N-[4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]thiophene-2-carboxamide
CID 656220
2-Thiophen-2-yl-3-m-tolyl-3H-quinazolin-4-one
CID 722908

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide (CID 12005336) is (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nn1c(-c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide?
The InChIKey is QUIKMEYCMPUZEX-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-19(13-12-15-7-2-1-3-8-15)23-24-20(18-11-6-14-27-18)22-17-10-5-4-9-16(17)21(24)26/h1-14H,(H,23,25)/b13-12+.
What are the key properties of (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide?
(E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide has a molecular weight of 373.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 12005336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).