prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate

C15H17N3O4 — CID 142647680

IUPACprop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
SMILESC=CCOC(=O)C(N)CCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H17N3O4/c1-2-9-22-14(20)11(16)7-8-18-13(19)10-5-3-4-6-12(10)17-15(18)21/h2-6,11H,1,7-9,16H2,(H,17,21)
InChIKeyKJTZAYJBEGZHIZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.14
Rot. Bonds6

About prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate

prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate (PubChem CID 142647680) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
PubChem CID142647680
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameprop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
SMILESC=CCOC(=O)C(N)CCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H17N3O4/c1-2-9-22-14(20)11(16)7-8-18-13(19)10-5-3-4-6-12(10)17-15(18)21/h2-6,11H,1,7-9,16H2,(H,17,21)
InChIKeyKJTZAYJBEGZHIZ-UHFFFAOYSA-N
XLogP0.14
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 142647674
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093
acetic acid;3-pentyl-1H-quinazoline-2,4-dione
CID 67872693
N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4973826
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51393472
2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
CID 59779886
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 56528156
N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4904089
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate?
The IUPAC name of prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate (CID 142647680) is prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate.
What is the SMILES notation for prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate?
The canonical SMILES for prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate is C=CCOC(=O)C(N)CCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate?
The InChIKey is KJTZAYJBEGZHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-9-22-14(20)11(16)7-8-18-13(19)10-5-3-4-6-12(10)17-15(18)21/h2-6,11H,1,7-9,16H2,(H,17,21).
What are the key properties of prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate?
prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate has a molecular weight of 303.32 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate is sourced from PubChem (CID 142647680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).