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

C21H25N4O3+ — CID 135809357

IUPAC2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOCC[NH+](CC(=O)Nc1ccccc1C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H24N4O3/c1-15-7-3-5-9-17(15)23-20(26)14-25(11-12-28-2)13-19-22-18-10-6-4-8-16(18)21(27)24-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,22,24,27)/p+1
InChIKeyULTOMPIMEIIJLE-UHFFFAOYSA-O
MW381.46 g/mol
LogP0.90
Rot. Bonds8

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

2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135809357) has the molecular formula C21H25N4O3+ and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135809357
Molecular FormulaC21H25N4O3+
Molecular Weight381.46 g/mol
Exact Mass381.19
IUPAC Name2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCOCC[NH+](CC(=O)Nc1ccccc1C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H24N4O3/c1-15-7-3-5-9-17(15)23-20(26)14-25(11-12-28-2)13-19-22-18-10-6-4-8-16(18)21(27)24-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,22,24,27)/p+1
InChIKeyULTOMPIMEIIJLE-UHFFFAOYSA-O
XLogP0.90
TPSA88.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809401
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729544
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809295
[2-(3-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809335
[2-(3-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809349
2-methoxyethyl-[2-oxo-2-(2-phenylethylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809409
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809389
[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
ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808327
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808225
butyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809129

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135809357) is 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is COCC[NH+](CC(=O)Nc1ccccc1C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is ULTOMPIMEIIJLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O3/c1-15-7-3-5-9-17(15)23-20(26)14-25(11-12-28-2)13-19-22-18-10-6-4-8-16(18)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-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 381.46 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[2-(2-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135809357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).