(E)-4-amino-4-quinazolin-6-ylbut-2-enamide

C12H12N4O — CID 70271790

IUPAC(E)-4-amino-4-quinazolin-6-ylbut-2-enamide
SMILESNC(=O)/C=C/C(N)c1ccc2ncncc2c1
InChIInChI=1S/C12H12N4O/c13-10(2-4-12(14)17)8-1-3-11-9(5-8)6-15-7-16-11/h1-7,10H,13H2,(H2,14,17)/b4-2+
InChIKeyVBPLUTJFSYHBDV-DUXPYHPUSA-N
MW228.25 g/mol
LogP0.67
Rot. Bonds3

About (E)-4-amino-4-quinazolin-6-ylbut-2-enamide

(E)-4-amino-4-quinazolin-6-ylbut-2-enamide (PubChem CID 70271790) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is (E)-4-amino-4-quinazolin-6-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-4-quinazolin-6-ylbut-2-enamide
PubChem CID70271790
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name(E)-4-amino-4-quinazolin-6-ylbut-2-enamide
SMILESNC(=O)/C=C/C(N)c1ccc2ncncc2c1
InChIInChI=1S/C12H12N4O/c13-10(2-4-12(14)17)8-1-3-11-9(5-8)6-15-7-16-11/h1-7,10H,13H2,(H2,14,17)/b4-2+
InChIKeyVBPLUTJFSYHBDV-DUXPYHPUSA-N
XLogP0.67
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Quinazoline
CID 9210
6-Aminoquinazoline
CID 589288
Quinazolin-2-amine
CID 519332
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
Quinazolin-7-amine
CID 16663769
6-o-Tolylquinazolin-2-amine
CID 16086113
6-Phenyl-4-quinazolinamine
CID 90054733
3-(2-aminoquinazolin-6-yl)-1-(2-cyclopentylethyl)-4-methylpyridin-2(1H)-one
CID 24879305
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350806
6-Methyl-4-phenylquinazoline
CID 609651
Quinazoline, 6-methyl-
CID 15220544

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-4-quinazolin-6-ylbut-2-enamide?
The IUPAC name of (E)-4-amino-4-quinazolin-6-ylbut-2-enamide (CID 70271790) is (E)-4-amino-4-quinazolin-6-ylbut-2-enamide.
What is the SMILES notation for (E)-4-amino-4-quinazolin-6-ylbut-2-enamide?
The canonical SMILES for (E)-4-amino-4-quinazolin-6-ylbut-2-enamide is NC(=O)/C=C/C(N)c1ccc2ncncc2c1.
What is the InChIKey of (E)-4-amino-4-quinazolin-6-ylbut-2-enamide?
The InChIKey is VBPLUTJFSYHBDV-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H12N4O/c13-10(2-4-12(14)17)8-1-3-11-9(5-8)6-15-7-16-11/h1-7,10H,13H2,(H2,14,17)/b4-2+.
What are the key properties of (E)-4-amino-4-quinazolin-6-ylbut-2-enamide?
(E)-4-amino-4-quinazolin-6-ylbut-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-4-quinazolin-6-ylbut-2-enamide is sourced from PubChem (CID 70271790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).