2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

C12H14N4O3 — CID 142647674

IUPAC2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESNC(=O)C(N)CCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C12H14N4O3/c13-8(10(14)17)5-6-16-11(18)7-3-1-2-4-9(7)15-12(16)19/h1-4,8H,5-6,13H2,(H2,14,17)(H,15,19)
InChIKeyFGSRRTLRAKIVLF-UHFFFAOYSA-N
MW262.27 g/mol
LogP-1.11
Rot. Bonds4

About 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide

2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 142647674) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID142647674
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESNC(=O)C(N)CCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C12H14N4O3/c13-8(10(14)17)5-6-16-11(18)7-3-1-2-4-9(7)15-12(16)19/h1-4,8H,5-6,13H2,(H2,14,17)(H,15,19)
InChIKeyFGSRRTLRAKIVLF-UHFFFAOYSA-N
XLogP-1.11
TPSA123.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

prop-2-enyl 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
CID 142647680
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
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51393472
3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
CID 19001789
2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
CID 59779886
3-(2-phenylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 678582
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 51114624
2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide
CID 142647678
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 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 142647674) is 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is NC(=O)C(N)CCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is FGSRRTLRAKIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-8(10(14)17)5-6-16-11(18)7-3-1-2-4-9(7)15-12(16)19/h1-4,8H,5-6,13H2,(H2,14,17)(H,15,19).
What are the key properties of 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide?
2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 262.27 g/mol, XLogP of -1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 142647674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).