2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one

C18H19N3O — CID 135737118

IUPAC2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
SMILESC[C@H](NCCc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N3O/c1-13(19-12-11-14-7-3-2-4-8-14)17-20-16-10-6-5-9-15(16)18(22)21-17/h2-10,13,19H,11-12H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyIORILOKNTLZJQO-ZDUSSCGKSA-N
MW293.37 g/mol
LogP2.82
Rot. Bonds5

About 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one

2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one (PubChem CID 135737118) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
PubChem CID135737118
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
SMILESC[C@H](NCCc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H19N3O/c1-13(19-12-11-14-7-3-2-4-8-14)17-20-16-10-6-5-9-15(16)18(22)21-17/h2-10,13,19H,11-12H2,1H3,(H,20,21,22)/t13-/m0/s1
InChIKeyIORILOKNTLZJQO-ZDUSSCGKSA-N
XLogP2.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
CID 175537868
2-[(1R)-1-(4-bromoanilino)ethyl]-3H-quinazolin-4-one
CID 135839568
2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
CID 135800866
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137303959
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[(1R)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751381
2-[(1R)-1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767552
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
2-[(1R)-1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767554

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one (CID 135737118) is 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one is C[C@H](NCCc1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one?
The InChIKey is IORILOKNTLZJQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13(19-12-11-14-7-3-2-4-8-14)17-20-16-10-6-5-9-15(16)18(22)21-17/h2-10,13,19H,11-12H2,1H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one?
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one has a molecular weight of 293.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135737118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).