(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

C25H22N2O3 — CID 110276265

IUPAC(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCc1cc2c(c3c1C(=O)/C(=C/c1ccccn1)O3)CN(C(C)c1ccccc1)CO2
InChIInChI=1S/C25H22N2O3/c1-16-12-21-20(14-27(15-29-21)17(2)18-8-4-3-5-9-18)25-23(16)24(28)22(30-25)13-19-10-6-7-11-26-19/h3-13,17H,14-15H2,1-2H3/b22-13-
InChIKeyOGJGXMUCTBNFAL-XKZIYDEJSA-N
MW398.46 g/mol
LogP4.92
Rot. Bonds3

About (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one

(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (PubChem CID 110276265) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
PubChem CID110276265
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCc1cc2c(c3c1C(=O)/C(=C/c1ccccn1)O3)CN(C(C)c1ccccc1)CO2
InChIInChI=1S/C25H22N2O3/c1-16-12-21-20(14-27(15-29-21)17(2)18-8-4-3-5-9-18)25-23(16)24(28)22(30-25)13-19-10-6-7-11-26-19/h3-13,17H,14-15H2,1-2H3/b22-13-
InChIKeyOGJGXMUCTBNFAL-XKZIYDEJSA-N
XLogP4.92
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The IUPAC name of (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (CID 110276265) is (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.
What is the SMILES notation for (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The canonical SMILES for (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is Cc1cc2c(c3c1C(=O)/C(=C/c1ccccn1)O3)CN(C(C)c1ccccc1)CO2.
What is the InChIKey of (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The InChIKey is OGJGXMUCTBNFAL-XKZIYDEJSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-16-12-21-20(14-27(15-29-21)17(2)18-8-4-3-5-9-18)25-23(16)24(28)22(30-25)13-19-10-6-7-11-26-19/h3-13,17H,14-15H2,1-2H3/b22-13-.
What are the key properties of (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one has a molecular weight of 398.46 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 110276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).