ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C17H24N3O2+ — CID 135808115

IUPACethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-2-20(11-13-7-5-6-10-22-13)12-16-18-15-9-4-3-8-14(15)17(21)19-16/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19,21)/p+1/t13-/m1/s1
InChIKeyUUBLCEOOXRWCEM-CYBMUJFWSA-O
MW302.40 g/mol
LogP0.90
Rot. Bonds5

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

ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135808115) has the molecular formula C17H24N3O2+ and a molecular weight of 302.40 g/mol. Its IUPAC name is ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135808115
Molecular FormulaC17H24N3O2+
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Nameethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-2-20(11-13-7-5-6-10-22-13)12-16-18-15-9-4-3-8-14(15)17(21)19-16/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19,21)/p+1/t13-/m1/s1
InChIKeyUUBLCEOOXRWCEM-CYBMUJFWSA-O
XLogP0.90
TPSA59.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl-[[(2R)-oxan-2-yl]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

2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
(3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135553106
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751657
(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
CID 135751190
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135830018
oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300052
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 135808249
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-[[1,3-benzoxazol-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135941862
2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
CID 136790933

Frequently Asked Questions

What is the IUPAC name of ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135808115) is ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCCO1.
What is the InChIKey of ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is UUBLCEOOXRWCEM-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H23N3O2/c1-2-20(11-13-7-5-6-10-22-13)12-16-18-15-9-4-3-8-14(15)17(21)19-16/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,18,19,21)/p+1/t13-/m1/s1.
What are the key properties of ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 302.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135808115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).