1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one

C18H14N2O3 — CID 102478256

IUPAC1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
SMILESCOc1ccc(C2NC(=O)Oc3ccc4ncccc4c32)cc1
InChIInChI=1S/C18H14N2O3/c1-22-12-6-4-11(5-7-12)17-16-13-3-2-10-19-14(13)8-9-15(16)23-18(21)20-17/h2-10,17H,1H3,(H,20,21)
InChIKeyPUJFVTCUXIRFKV-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.43
Rot. Bonds2

About 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one

1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one (PubChem CID 102478256) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
PubChem CID102478256
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one
SMILESCOc1ccc(C2NC(=O)Oc3ccc4ncccc4c32)cc1
InChIInChI=1S/C18H14N2O3/c1-22-12-6-4-11(5-7-12)17-16-13-3-2-10-19-14(13)8-9-15(16)23-18(21)20-17/h2-10,17H,1H3,(H,20,21)
InChIKeyPUJFVTCUXIRFKV-UHFFFAOYSA-N
XLogP3.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The IUPAC name of 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one (CID 102478256) is 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The canonical SMILES for 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one is COc1ccc(C2NC(=O)Oc3ccc4ncccc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
The InChIKey is PUJFVTCUXIRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-12-6-4-11(5-7-12)17-16-13-3-2-10-19-14(13)8-9-15(16)23-18(21)20-17/h2-10,17H,1H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one?
1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one has a molecular weight of 306.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1,2-dihydropyrido[3,2-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 102478256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).