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

C24H20N2O3 — CID 110276357

IUPAC(2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCC(c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccncc1)C3=O
InChIInChI=1S/C24H20N2O3/c1-16(18-5-3-2-4-6-18)26-14-20-21(28-15-26)8-7-19-23(27)22(29-24(19)20)13-17-9-11-25-12-10-17/h2-13,16H,14-15H2,1H3/b22-13-
InChIKeyAIAMKQOCACSDRM-XKZIYDEJSA-N
MW384.44 g/mol
LogP4.61
Rot. Bonds3

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

(2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (PubChem CID 110276357) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
PubChem CID110276357
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
SMILESCC(c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccncc1)C3=O
InChIInChI=1S/C24H20N2O3/c1-16(18-5-3-2-4-6-18)26-14-20-21(28-15-26)8-7-19-23(27)22(29-24(19)20)13-17-9-11-25-12-10-17/h2-13,16H,14-15H2,1H3/b22-13-
InChIKeyAIAMKQOCACSDRM-XKZIYDEJSA-N
XLogP4.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.61
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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Related Compounds

(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-8-(1-phenylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276390
(2Z)-4-methyl-8-(1-phenylethyl)-2-(pyridin-2-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276265
(2Z)-2-benzylidene-8-(2-morpholin-4-ylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one;propan-2-ol
CID 71779823
(2Z)-2-[(3-methoxyphenyl)methylidene]-4-methyl-8-(1-phenylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276178
(2Z)-4-methyl-2-[(3-nitrophenyl)methylidene]-8-(1-phenylethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276158
(2Z)-8-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-propan-2-ylphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 25282599
(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-8-(pyridin-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 95026648
(2Z)-4-methyl-8-(1-phenylethyl)-2-[(2,3,4-trimethoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276229
(2Z)-8-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylidene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 25282498
4-methyl-9-(1-phenylethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 3841038
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878656
(2Z)-6-hydroxy-7-methyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 58695997

Frequently Asked Questions

What is the IUPAC name of (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The IUPAC name of (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (CID 110276357) is (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one.
What is the SMILES notation for (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The canonical SMILES for (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is CC(c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccncc1)C3=O.
What is the InChIKey of (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
The InChIKey is AIAMKQOCACSDRM-XKZIYDEJSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16(18-5-3-2-4-6-18)26-14-20-21(28-15-26)8-7-19-23(27)22(29-24(19)20)13-17-9-11-25-12-10-17/h2-13,16H,14-15H2,1H3/b22-13-.
What are the key properties of (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one?
(2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one has a molecular weight of 384.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-(1-phenylethyl)-2-(pyridin-4-ylmethylidene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one is sourced from PubChem (CID 110276357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).