3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one

C19H19N3O2 — CID 99903211

IUPAC3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one
SMILESC[C@H](OC/C=C\c1ccccc1)c1nc2ccccc2c(=O)n1N
InChIInChI=1S/C19H19N3O2/c1-14(24-13-7-10-15-8-3-2-4-9-15)18-21-17-12-6-5-11-16(17)19(23)22(18)20/h2-12,14H,13,20H2,1H3/b10-7-/t14-/m0/s1
InChIKeyVSVXDKAUVDAXRO-YHAOYDPOSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one

3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one (PubChem CID 99903211) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one
PubChem CID99903211
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one
SMILESC[C@H](OC/C=C\c1ccccc1)c1nc2ccccc2c(=O)n1N
InChIInChI=1S/C19H19N3O2/c1-14(24-13-7-10-15-8-3-2-4-9-15)18-21-17-12-6-5-11-16(17)19(23)22(18)20/h2-12,14H,13,20H2,1H3/b10-7-/t14-/m0/s1
InChIKeyVSVXDKAUVDAXRO-YHAOYDPOSA-N
XLogP2.90
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-amino-2-(dichloromethyl)quinazolin-4-one
CID 86167528
3-amino-2-(2-methylocta-1,6-dien-4-yl)quinazolin-4-one
CID 73188200
[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate
CID 102075734
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
2-(1-chloroethyl)-3-(2-methoxy-2-methylpropyl)quinazolin-4-one
CID 104765099
2-(1-chloroethyl)-3-(2-methoxypropyl)quinazolin-4-one
CID 102700303
2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
CID 58776627
1-O-[2-[(1R)-1-(3-amino-4-oxoquinazolin-2-yl)ethoxy]ethyl] 7-O-methyl (6S)-2-methylidene-6-(phenylmethoxycarbonylamino)heptanedioate
CID 11534241
3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 16804813
(E)-N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711543

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one (CID 99903211) is 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one is C[C@H](OC/C=C\c1ccccc1)c1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one?
The InChIKey is VSVXDKAUVDAXRO-YHAOYDPOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(24-13-7-10-15-8-3-2-4-9-15)18-21-17-12-6-5-11-16(17)19(23)22(18)20/h2-12,14H,13,20H2,1H3/b10-7-/t14-/m0/s1.
What are the key properties of 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one?
3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 99903211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).