[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C21H25N4O4+ — CID 135809401

IUPAC[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOCC[NH+](CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H24N4O4/c1-28-12-11-25(14-20(26)23-17-9-5-6-10-18(17)29-2)13-19-22-16-8-4-3-7-15(16)21(27)24-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,22,24,27)/p+1
InChIKeyWCTXKEMEUPCLEB-UHFFFAOYSA-O
MW397.46 g/mol
LogP0.60
Rot. Bonds9

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

[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809401) has the molecular formula C21H25N4O4+ and a molecular weight of 397.46 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135809401
Molecular FormulaC21H25N4O4+
Molecular Weight397.46 g/mol
Exact Mass397.19
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOCC[NH+](CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H24N4O4/c1-28-12-11-25(14-20(26)23-17-9-5-6-10-18(17)29-2)13-19-22-16-8-4-3-7-15(16)21(27)24-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,22,24,27)/p+1
InChIKeyWCTXKEMEUPCLEB-UHFFFAOYSA-O
XLogP0.60
TPSA97.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809357
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729544
[2-(3-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809349
[2-(3-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809335
2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809409
ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808327
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809389
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809295
[2-(2-methoxyanilino)-2-oxoethyl]-[[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]methyl]-propylazanium
CID 135743790
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809401) is [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is COCC[NH+](CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is WCTXKEMEUPCLEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O4/c1-28-12-11-25(14-20(26)23-17-9-5-6-10-18(17)29-2)13-19-22-16-8-4-3-7-15(16)21(27)24-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,22,24,27)/p+1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 397.46 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).