N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

C16H22N4O3 — CID 119570994

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCCC(CC)(CN)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H22N4O3/c1-3-16(4-2,10-17)19-13(21)9-20-14(22)11-7-5-6-8-12(11)18-15(20)23/h5-8H,3-4,9-10,17H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyWBDGCPLLHGKGAF-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.32
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 119570994) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
PubChem CID119570994
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCCC(CC)(CN)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H22N4O3/c1-3-16(4-2,10-17)19-13(21)9-20-14(22)11-7-5-6-8-12(11)18-15(20)23/h5-8H,3-4,9-10,17H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyWBDGCPLLHGKGAF-UHFFFAOYSA-N
XLogP0.32
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
CID 119571777
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-methylpentanoic acid
CID 119192243
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-(2-ethyl-2-hydroxybutyl)-1H-quinazoline-2,4-dione
CID 47475418
1-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120700089
2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl 2,2-dimethylbutanoate
CID 59779886
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 91636848

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 119570994) is N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is CCC(CC)(CN)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The InChIKey is WBDGCPLLHGKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-16(4-2,10-17)19-13(21)9-20-14(22)11-7-5-6-8-12(11)18-15(20)23/h5-8H,3-4,9-10,17H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 119570994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).