(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C21H24N3O3+ — CID 135673586

IUPAC(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCCOc1ccc(C(C)=O)cc1C[NH+](C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O3/c1-4-27-19-10-9-15(14(2)25)11-16(19)12-24(3)13-20-22-18-8-6-5-7-17(18)21(26)23-20/h5-11H,4,12-13H2,1-3H3,(H,22,23,26)/p+1
InChIKeyATKNCDMUKQZRSV-UHFFFAOYSA-O
MW366.44 g/mol
LogP1.74
Rot. Bonds7

About (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135673586) has the molecular formula C21H24N3O3+ and a molecular weight of 366.44 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135673586
Molecular FormulaC21H24N3O3+
Molecular Weight366.44 g/mol
Exact Mass366.18
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCCOc1ccc(C(C)=O)cc1C[NH+](C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C21H23N3O3/c1-4-27-19-10-9-15(14(2)25)11-16(19)12-24(3)13-20-22-18-8-6-5-7-17(18)21(26)23-20/h5-11H,4,12-13H2,1-3H3,(H,22,23,26)/p+1
InChIKeyATKNCDMUKQZRSV-UHFFFAOYSA-O
XLogP1.74
TPSA76.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808487
[(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135767674
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
N-benzyl-3,4-diethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135875437
1-[4-ethoxy-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]phenyl]ethanone
CID 7144829
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
3-ethoxy-N-ethyl-4-(2-methylpropoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821138
3-chloro-5-ethoxy-N-ethyl-4-hydroxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 136935245
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831944
2-[(3,4-diethoxyphenyl)methyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135833221
[2-(3-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809335
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 135745967

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135673586) is (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CCOc1ccc(C(C)=O)cc1C[NH+](C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is ATKNCDMUKQZRSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O3/c1-4-27-19-10-9-15(14(2)25)11-16(19)12-24(3)13-20-22-18-8-6-5-7-17(18)21(26)23-20/h5-11H,4,12-13H2,1-3H3,(H,22,23,26)/p+1.
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 366.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135673586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).