methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

C17H23N4O3+ — CID 135729573

IUPACmethyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+](C)CC(=O)N1CCOCC1
InChIInChI=1S/C17H22N4O3/c1-12(20(2)11-15(22)21-7-9-24-10-8-21)16-18-14-6-4-3-5-13(14)17(23)19-16/h3-6,12H,7-11H2,1-2H3,(H,18,19,23)/p+1/t12-/m1/s1
InChIKeyLYGFTRKNFHONCY-GFCCVEGCSA-O
MW331.40 g/mol
LogP-0.64
Rot. Bonds4

About methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (PubChem CID 135729573) has the molecular formula C17H23N4O3+ and a molecular weight of 331.40 g/mol. Its IUPAC name is methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.

Molecular Properties

Compound Namemethyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
PubChem CID135729573
Molecular FormulaC17H23N4O3+
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Namemethyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESC[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+](C)CC(=O)N1CCOCC1
InChIInChI=1S/C17H22N4O3/c1-12(20(2)11-15(22)21-7-9-24-10-8-21)16-18-14-6-4-3-5-13(14)17(23)19-16/h3-6,12H,7-11H2,1-2H3,(H,18,19,23)/p+1/t12-/m1/s1
InChIKeyLYGFTRKNFHONCY-GFCCVEGCSA-O
XLogP-0.64
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium with MolForge

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Related Compounds

2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135808777
methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135808862
(5-chlorothiophen-2-yl)methyl-methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135811804
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1R)-1-phenylethyl]azanium
CID 135612855
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1S)-1-phenylethyl]azanium
CID 135612853
2-[1-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 137285896
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751350
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135600131
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 37269145

Frequently Asked Questions

What is the IUPAC name of methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The IUPAC name of methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (CID 135729573) is methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.
What is the SMILES notation for methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The canonical SMILES for methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+](C)CC(=O)N1CCOCC1.
What is the InChIKey of methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The InChIKey is LYGFTRKNFHONCY-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H22N4O3/c1-12(20(2)11-15(22)21-7-9-24-10-8-21)16-18-14-6-4-3-5-13(14)17(23)19-16/h3-6,12H,7-11H2,1-2H3,(H,18,19,23)/p+1/t12-/m1/s1.
What are the key properties of methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium has a molecular weight of 331.40 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is sourced from PubChem (CID 135729573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).