[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

C16H18N3O2+ — CID 135751350

IUPAC[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccco1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10(14-8-5-9-21-14)17-11(2)15-18-13-7-4-3-6-12(13)16(20)19-15/h3-11,17H,1-2H3,(H,18,19,20)/p+1/t10-,11-/m0/s1
InChIKeyLHYVENXEIFEPAD-QWRGUYRKSA-O
MW284.34 g/mol
LogP1.90
Rot. Bonds4

About [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium

[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (PubChem CID 135751350) has the molecular formula C16H18N3O2+ and a molecular weight of 284.34 g/mol. Its IUPAC name is [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
PubChem CID135751350
Molecular FormulaC16H18N3O2+
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccco1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10(14-8-5-9-21-14)17-11(2)15-18-13-7-4-3-6-12(13)16(20)19-15/h3-11,17H,1-2H3,(H,18,19,20)/p+1/t10-,11-/m0/s1
InChIKeyLHYVENXEIFEPAD-QWRGUYRKSA-O
XLogP1.90
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]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

[(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-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751338
[(R)-(4-methylphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809535
[(R)-(4-methoxyphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135677079
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 135722504
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135751447
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium (CID 135751350) is [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is C[C@H]([NH2+][C@@H](C)c1ccco1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
The InChIKey is LHYVENXEIFEPAD-QWRGUYRKSA-O. The full InChI is InChI=1S/C16H17N3O2/c1-10(14-8-5-9-21-14)17-11(2)15-18-13-7-4-3-6-12(13)16(20)19-15/h3-11,17H,1-2H3,(H,18,19,20)/p+1/t10-,11-/m0/s1.
What are the key properties of [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium?
[(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium has a molecular weight of 284.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(furan-2-yl)ethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium is sourced from PubChem (CID 135751350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).