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

C21H24N3O3+ — CID 135808487

IUPAC(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C21H23N3O3/c1-4-24(12-16-11-15(14(2)25)9-10-19(16)27-3)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
InChIKeyBCGYPCTYFAHITL-UHFFFAOYSA-O
MW366.44 g/mol
LogP1.74
Rot. Bonds7

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

(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135808487) has the molecular formula C21H24N3O3+ and a molecular weight of 366.44 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135808487
Molecular FormulaC21H24N3O3+
Molecular Weight366.44 g/mol
Exact Mass366.18
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C21H23N3O3/c1-4-24(12-16-11-15(14(2)25)9-10-19(16)27-3)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
InChIKeyBCGYPCTYFAHITL-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-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

[(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135767674
(5-acetyl-2-ethoxyphenyl)methyl-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135673586
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942
ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808327
ethyl-[2-(3-methoxyanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808785
ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 135808249
[2-(3-acetylanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809335
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 135734742
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
(4-oxo-3H-quinazolin-2-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 135723683
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-(2-phenoxyethyl)azanium
CID 135808539
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 135808573

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135808487) is (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](Cc1nc2ccccc2c(=O)[nH]1)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is BCGYPCTYFAHITL-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O3/c1-4-24(12-16-11-15(14(2)25)9-10-19(16)27-3)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-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
(5-acetyl-2-methoxyphenyl)methyl-ethyl-[(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-methoxyphenyl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135808487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).