ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C18H26N5O3+ — CID 135808155

IUPACethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](CC(=O)NC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H25N5O3/c1-4-23(11-16(24)22-18(26)19-9-12(2)3)10-15-20-14-8-6-5-7-13(14)17(25)21-15/h5-8,12H,4,9-11H2,1-3H3,(H,20,21,25)(H2,19,22,24,26)/p+1
InChIKeyGCXFMULUHHTASB-UHFFFAOYSA-O
MW360.44 g/mol
LogP-0.19
Rot. Bonds7

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

ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135808155) has the molecular formula C18H26N5O3+ and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135808155
Molecular FormulaC18H26N5O3+
Molecular Weight360.44 g/mol
Exact Mass360.20
IUPAC Nameethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](CC(=O)NC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H25N5O3/c1-4-23(11-16(24)22-18(26)19-9-12(2)3)10-15-20-14-8-6-5-7-13(14)17(25)21-15/h5-8,12H,4,9-11H2,1-3H3,(H,20,21,25)(H2,19,22,24,26)/p+1
InChIKeyGCXFMULUHHTASB-UHFFFAOYSA-O
XLogP-0.19
TPSA108.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
butyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809287
butyl-[2-(butylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135750948
ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808211
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808225
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
butyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809165
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808191
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[2-(2-methylpropylamino)-2-oxoethyl]azanium
CID 135808677
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808785
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809295

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135808155) is ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](CC(=O)NC(=O)NCC(C)C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is GCXFMULUHHTASB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N5O3/c1-4-23(11-16(24)22-18(26)19-9-12(2)3)10-15-20-14-8-6-5-7-13(14)17(25)21-15/h5-8,12H,4,9-11H2,1-3H3,(H,20,21,25)(H2,19,22,24,26)/p+1.
What are the key properties of ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 360.44 g/mol, XLogP of -0.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135808155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).