6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one

C28H24N2O3 — CID 44722665

IUPAC6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)N(C)C(=O)CO4)c2)cc1
InChIInChI=1S/C28H24N2O3/c1-18-4-6-20(7-5-18)24-14-22(19-8-11-23(32-3)12-9-19)15-25(29-24)21-10-13-27-26(16-21)30(2)28(31)17-33-27/h4-16H,17H2,1-3H3
InChIKeyZWBHWJLDRCYVLU-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.75
Rot. Bonds4

About 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one

6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 44722665) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID44722665
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)N(C)C(=O)CO4)c2)cc1
InChIInChI=1S/C28H24N2O3/c1-18-4-6-20(7-5-18)24-14-22(19-8-11-23(32-3)12-9-19)15-25(29-24)21-10-13-27-26(16-21)30(2)28(31)17-33-27/h4-16H,17H2,1-3H3
InChIKeyZWBHWJLDRCYVLU-UHFFFAOYSA-N
XLogP5.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
CID 96667520
ethyl 2-[6-[4,6-bis(4-methylphenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 44724583
4-[(4-fluorophenyl)methyl]-6-[6-(4-fluorophenyl)-4-(4-methylphenyl)-2-pyridinyl]-1,4-benzoxazin-3-one
CID 44724629
(3,5-dimethoxyphenyl)-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]azanium
CID 142893432
3-[6-[4-(furan-2-yl)-6-(4-methoxyphenyl)-2-pyridinyl]-3-oxo-1,4-benzoxazin-4-yl]propanenitrile
CID 45034496
6-[2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoyl]-4-methyl-1,4-benzoxazin-3-one
CID 136685784
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
6-[6-(4-bromophenyl)-4-(4-methylphenyl)-2-pyridinyl]-4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 44724588
6-(6-amino-8-methylimidazo[1,2-a]pyridin-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 93206340
4-[3-(4-methoxyphenoxy)propyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696023

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one (CID 44722665) is 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one is COc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)N(C)C(=O)CO4)c2)cc1.
What is the InChIKey of 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is ZWBHWJLDRCYVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-18-4-6-20(7-5-18)24-14-22(19-8-11-23(32-3)12-9-19)15-25(29-24)21-10-13-27-26(16-21)30(2)28(31)17-33-27/h4-16H,17H2,1-3H3.
What are the key properties of 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one?
6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 436.51 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 44722665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).