ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C17H24N5O3+ — CID 135808099

IUPACethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](CC(=O)NC(=O)NC(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H23N5O3/c1-4-22(10-15(23)21-17(25)18-11(2)3)9-14-19-13-8-6-5-7-12(13)16(24)20-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,24)(H2,18,21,23,25)/p+1
InChIKeyNUYCHWWSUQELHN-UHFFFAOYSA-O
MW346.41 g/mol
LogP-0.44
Rot. Bonds6

About ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135808099) has the molecular formula C17H24N5O3+ and a molecular weight of 346.41 g/mol. Its IUPAC name is ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135808099
Molecular FormulaC17H24N5O3+
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Nameethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](CC(=O)NC(=O)NC(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H23N5O3/c1-4-22(10-15(23)21-17(25)18-11(2)3)9-14-19-13-8-6-5-7-12(13)16(24)20-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,24)(H2,18,21,23,25)/p+1
InChIKeyNUYCHWWSUQELHN-UHFFFAOYSA-O
XLogP-0.44
TPSA108.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808155
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808225
ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808211
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809165
butyl-[2-(butylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135750948
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135830018
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135452342
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808191
ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808327
methyl-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135680104

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135808099) is ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](CC(=O)NC(=O)NC(C)C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is NUYCHWWSUQELHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N5O3/c1-4-22(10-15(23)21-17(25)18-11(2)3)9-14-19-13-8-6-5-7-12(13)16(24)20-14/h5-8,11H,4,9-10H2,1-3H3,(H,19,20,24)(H2,18,21,23,25)/p+1.
What are the key properties of ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 346.41 g/mol, XLogP of -0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135808099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).