8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine

C20H18N2O — CID 171358782

IUPAC8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccncc1-c1cccc2c1OCCN2c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-10-11-21-14-18(15)17-8-5-9-19-20(17)23-13-12-22(19)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3
InChIKeyCOHFJQPPHXIADS-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.59
Rot. Bonds2

About 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine

8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 171358782) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine
PubChem CID171358782
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccncc1-c1cccc2c1OCCN2c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15-10-11-21-14-18(15)17-8-5-9-19-20(17)23-13-12-22(19)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3
InChIKeyCOHFJQPPHXIADS-UHFFFAOYSA-N
XLogP4.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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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
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-phenylamine
CID 44372111
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
2-{[2-(2-Phenylethyl)phenoxy]methyl}pyridine
CID 11973809
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
2H-Pyrido[3,3-benzoxazine, 3-cyclohexyl-3,4-dihydro-
CID 291306
2H-Pyrido[3,3-benzoxazine, 3,4-dihydro-3-(2-phenylethyl)-
CID 291307
8-[3-(2,3-Dimethylphenoxy)propoxy]quinoline
CID 2283202

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine (CID 171358782) is 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine is Cc1ccncc1-c1cccc2c1OCCN2c1ccccc1.
What is the InChIKey of 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is COHFJQPPHXIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-10-11-21-14-18(15)17-8-5-9-19-20(17)23-13-12-22(19)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine?
8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 302.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 171358782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).