4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine

C20H17FN2O — CID 117075137

IUPAC4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESFc1ccc(CN2CCOc3ccc(-c4ccncc4)cc32)cc1
InChIInChI=1S/C20H17FN2O/c21-18-4-1-15(2-5-18)14-23-11-12-24-20-6-3-17(13-19(20)23)16-7-9-22-10-8-16/h1-10,13H,11-12,14H2
InChIKeyOAKSQYXFQSXDAP-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.29
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine

4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 117075137) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID117075137
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESFc1ccc(CN2CCOc3ccc(-c4ccncc4)cc32)cc1
InChIInChI=1S/C20H17FN2O/c21-18-4-1-15(2-5-18)14-23-11-12-24-20-6-3-17(13-19(20)23)16-7-9-22-10-8-16/h1-10,13H,11-12,14H2
InChIKeyOAKSQYXFQSXDAP-UHFFFAOYSA-N
XLogP4.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-((5-(4-fluorophenyl)-3-pyridinyl)methyl)piperazine
CID 9887537
Sarizotan
CID 6918388
Adoprazine hydrochloride
CID 42631781
2,6-Difluoro-4-(4-(4-morpholinophenyl)pyridin-3-yl)phenol
CID 118704762
2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973809
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
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
8-[(2-Fluorobenzyl)oxy]quinoline
CID 6460708
5-(4-Methoxyphenyl)-2-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
CID 10386162

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine (CID 117075137) is 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine is Fc1ccc(CN2CCOc3ccc(-c4ccncc4)cc32)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is OAKSQYXFQSXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-18-4-1-15(2-5-18)14-23-11-12-24-20-6-3-17(13-19(20)23)16-7-9-22-10-8-16/h1-10,13H,11-12,14H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine?
4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 320.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117075137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).