ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

C25H25N4O2+ — CID 135808249

IUPACethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESCC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H24N4O2/c1-2-29(17-23-27-22-11-7-6-10-21(22)25(31)28-23)16-18-12-14-19(15-13-18)24(30)26-20-8-4-3-5-9-20/h3-15H,2,16-17H2,1H3,(H,26,30)(H,27,28,31)/p+1
InChIKeyPLZCNPMJJKQJEK-UHFFFAOYSA-O
MW413.50 g/mol
LogP2.78
Rot. Bonds7

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

ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (PubChem CID 135808249) has the molecular formula C25H25N4O2+ and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Nameethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
PubChem CID135808249
Molecular FormulaC25H25N4O2+
Molecular Weight413.50 g/mol
Exact Mass413.20
IUPAC Nameethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESCC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C25H24N4O2/c1-2-29(17-23-27-22-11-7-6-10-21(22)25(31)28-23)16-18-12-14-19(15-13-18)24(30)26-20-8-4-3-5-9-20/h3-15H,2,16-17H2,1H3,(H,26,30)(H,27,28,31)/p+1
InChIKeyPLZCNPMJJKQJEK-UHFFFAOYSA-O
XLogP2.78
TPSA79.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808191
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135893399
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808785
(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808487
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 167947829
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
ethyl-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808211
[2-(3-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809335
ethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808155
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808343

Frequently Asked Questions

What is the IUPAC name of ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (CID 135808249) is ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is CC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is PLZCNPMJJKQJEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H24N4O2/c1-2-29(17-23-27-22-11-7-6-10-21(22)25(31)28-23)16-18-12-14-19(15-13-18)24(30)26-20-8-4-3-5-9-20/h3-15H,2,16-17H2,1H3,(H,26,30)(H,27,28,31)/p+1.
What are the key properties of ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 413.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 135808249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).