4-amino-5-prop-1-enyl-1H-quinazolin-2-one

C11H11N3O — CID 67400149

IUPAC4-amino-5-prop-1-enyl-1H-quinazolin-2-one
SMILESCC=Cc1cccc2[nH]c(=O)nc(N)c12
InChIInChI=1S/C11H11N3O/c1-2-4-7-5-3-6-8-9(7)10(12)14-11(15)13-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeySBVGBWQAIHUQLE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.54
Rot. Bonds1

About 4-amino-5-prop-1-enyl-1H-quinazolin-2-one

4-amino-5-prop-1-enyl-1H-quinazolin-2-one (PubChem CID 67400149) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-amino-5-prop-1-enyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-amino-5-prop-1-enyl-1H-quinazolin-2-one
PubChem CID67400149
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-amino-5-prop-1-enyl-1H-quinazolin-2-one
SMILESCC=Cc1cccc2[nH]c(=O)nc(N)c12
InChIInChI=1S/C11H11N3O/c1-2-4-7-5-3-6-8-9(7)10(12)14-11(15)13-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeySBVGBWQAIHUQLE-UHFFFAOYSA-N
XLogP1.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2(1H)-Quinazolinone, 4-phenyl-
CID 63430
1-Naphthylurea
CID 81387
4-p-Tolyl-quinazolin-2-ol
CID 712790
1,2-Dihydroquinazolin-2-one
CID 344381
2-Ethyl-1,2-dihydro-4-quinazolinamine
CID 10313340
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
1-Phenyl-3-(2,3-xylyl)urea
CID 295049
5-Methyl-1,4-dihydroquinazolin-2-amine;hydroiodide
CID 45263887
2-Methyl-1,2-dihydroquinazolin-4-amine
CID 10313251
4-Aminoquinazolin-2-ol
CID 11958943
Urea, 1-methoxy-3-(1-naphthyl)-
CID 282492
Urea, 1-tert-butyl-3-(1-naphthyl)-
CID 854306

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-prop-1-enyl-1H-quinazolin-2-one?
The IUPAC name of 4-amino-5-prop-1-enyl-1H-quinazolin-2-one (CID 67400149) is 4-amino-5-prop-1-enyl-1H-quinazolin-2-one.
What is the SMILES notation for 4-amino-5-prop-1-enyl-1H-quinazolin-2-one?
The canonical SMILES for 4-amino-5-prop-1-enyl-1H-quinazolin-2-one is CC=Cc1cccc2[nH]c(=O)nc(N)c12.
What is the InChIKey of 4-amino-5-prop-1-enyl-1H-quinazolin-2-one?
The InChIKey is SBVGBWQAIHUQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-4-7-5-3-6-8-9(7)10(12)14-11(15)13-8/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of 4-amino-5-prop-1-enyl-1H-quinazolin-2-one?
4-amino-5-prop-1-enyl-1H-quinazolin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-prop-1-enyl-1H-quinazolin-2-one is sourced from PubChem (CID 67400149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).