methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

C17H20N3O2+ — CID 135808862

IUPACmethyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)o1
InChIInChI=1S/C17H19N3O2/c1-11-8-9-13(22-11)10-20(3)12(2)16-18-15-7-5-4-6-14(15)17(21)19-16/h4-9,12H,10H2,1-3H3,(H,18,19,21)/p+1/t12-/m1/s1
InChIKeyLPSCVQAUNKUAFQ-GFCCVEGCSA-O
MW298.37 g/mol
LogP1.60
Rot. Bonds4

About methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (PubChem CID 135808862) has the molecular formula C17H20N3O2+ and a molecular weight of 298.37 g/mol. Its IUPAC name is methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
PubChem CID135808862
Molecular FormulaC17H20N3O2+
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Namemethyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESCc1ccc(C[NH+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)o1
InChIInChI=1S/C17H19N3O2/c1-11-8-9-13(22-11)10-20(3)12(2)16-18-15-7-5-4-6-14(15)17(21)19-16/h4-9,12H,10H2,1-3H3,(H,18,19,21)/p+1/t12-/m1/s1
InChIKeyLPSCVQAUNKUAFQ-GFCCVEGCSA-O
XLogP1.60
TPSA63.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium with MolForge

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Related Compounds

methyl-[(4-methylphenyl)methyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135808777
(5-chlorothiophen-2-yl)methyl-methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135811804
methyl-(2-morpholin-4-yl-2-oxoethyl)-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135729573
[(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
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722476
2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
CID 135800866
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The IUPAC name of methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (CID 135808862) is methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.
What is the SMILES notation for methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The canonical SMILES for methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is Cc1ccc(C[NH+](C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)o1.
What is the InChIKey of methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The InChIKey is LPSCVQAUNKUAFQ-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H19N3O2/c1-11-8-9-13(22-11)10-20(3)12(2)16-18-15-7-5-4-6-14(15)17(21)19-16/h4-9,12H,10H2,1-3H3,(H,18,19,21)/p+1/t12-/m1/s1.
What are the key properties of methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium has a molecular weight of 298.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-methylfuran-2-yl)methyl]-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is sourced from PubChem (CID 135808862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).