3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide

C13H17N5O2 — CID 136811945

IUPAC3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C13H17N5O2/c1-2-15-12(19)3-4-16-11-6-10-8(5-9(11)14)13(20)18-7-17-10/h5-7,16H,2-4,14H2,1H3,(H,15,19)(H,17,18,20)
InChIKeyWLEFKPNHEZOLHZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.44
Rot. Bonds5

About 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide

3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide (PubChem CID 136811945) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
PubChem CID136811945
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1cc2nc[nH]c(=O)c2cc1N
InChIInChI=1S/C13H17N5O2/c1-2-15-12(19)3-4-16-11-6-10-8(5-9(11)14)13(20)18-7-17-10/h5-7,16H,2-4,14H2,1H3,(H,15,19)(H,17,18,20)
InChIKeyWLEFKPNHEZOLHZ-UHFFFAOYSA-N
XLogP0.44
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]pentanamide
CID 136880867
6-amino-7-[[(3S)-3-hydroxybutyl]amino]-3H-quinazolin-4-one
CID 136751771
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 136690649
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777
6-amino-7-[[2-(hydroxymethyl)cyclohexyl]amino]-3H-quinazolin-4-one
CID 136746805
6-amino-7-[3-(triazol-1-yl)propylamino]-3H-quinazolin-4-one
CID 136824779
6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136824079
6-amino-7-[(2-methylsulfanylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136811881
6-amino-7-(thian-3-ylamino)-3H-quinazolin-4-one
CID 136952215

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide (CID 136811945) is 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide is CCNC(=O)CCNc1cc2nc[nH]c(=O)c2cc1N.
What is the InChIKey of 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide?
The InChIKey is WLEFKPNHEZOLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-15-12(19)3-4-16-11-6-10-8(5-9(11)14)13(20)18-7-17-10/h5-7,16H,2-4,14H2,1H3,(H,15,19)(H,17,18,20).
What are the key properties of 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide?
3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-4-oxo-3H-quinazolin-7-yl)amino]-N-ethylpropanamide is sourced from PubChem (CID 136811945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).