4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine

C22H20N2O — CID 117074952

IUPAC4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESC(=C/c1ccccc1)\CN1CCOc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H20N2O/c1-2-5-18(6-3-1)7-4-14-24-15-16-25-22-9-8-20(17-21(22)24)19-10-12-23-13-11-19/h1-13,17H,14-16H2/b7-4+
InChIKeyHFOJDNXOYJZAFW-QPJJXVBHSA-N
MW328.42 g/mol
LogP4.66
Rot. Bonds4

About 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine

4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 117074952) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID117074952
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESC(=C/c1ccccc1)\CN1CCOc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H20N2O/c1-2-5-18(6-3-1)7-4-14-24-15-16-25-22-9-8-20(17-21(22)24)19-10-12-23-13-11-19/h1-13,17H,14-16H2/b7-4+
InChIKeyHFOJDNXOYJZAFW-QPJJXVBHSA-N
XLogP4.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
Kryptofix 5
CID 93310
3-[(2S)-2-amino-3-(naphthalen-1-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744799
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136
2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973809
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CID 162645254
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
2H-Pyrido[3,3-benzoxazine, 3-cyclohexyl-3,4-dihydro-
CID 291306

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine (CID 117074952) is 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine is C(=C/c1ccccc1)\CN1CCOc2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is HFOJDNXOYJZAFW-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H20N2O/c1-2-5-18(6-3-1)7-4-14-24-15-16-25-22-9-8-20(17-21(22)24)19-10-12-23-13-11-19/h1-13,17H,14-16H2/b7-4+.
What are the key properties of 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 328.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117074952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).