2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one

C17H19N3O2 — CID 136833027

IUPAC2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
SMILESCCN(Cc1ccoc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N3O2/c1-3-20(10-13-8-9-22-11-13)12(2)16-18-15-7-5-4-6-14(15)17(21)19-16/h4-9,11-12H,3,10H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyMLNFZDQLOVNHAI-LBPRGKRZSA-N
MW297.36 g/mol
LogP3.10
Rot. Bonds5

About 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one

2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 136833027) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID136833027
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one
SMILESCCN(Cc1ccoc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H19N3O2/c1-3-20(10-13-8-9-22-11-13)12(2)16-18-15-7-5-4-6-14(15)17(21)19-16/h4-9,11-12H,3,10H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyMLNFZDQLOVNHAI-LBPRGKRZSA-N
XLogP3.10
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
CID 135737118
N,N-dimethyl-2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]acetamide
CID 135729584
2-[(1S)-1-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808725
2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808076
2-[(1R)-1-[methyl-[(2-methylphenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135808748
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1R)-1-[(2-chlorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135830376
2-[1-[(2-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135899716

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one (CID 136833027) is 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one is CCN(Cc1ccoc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is MLNFZDQLOVNHAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-20(10-13-8-9-22-11-13)12(2)16-18-15-7-5-4-6-14(15)17(21)19-16/h4-9,11-12H,3,10H2,1-2H3,(H,18,19,21)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one?
2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[ethyl(furan-3-ylmethyl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136833027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).