4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one

C19H16N2O3 — CID 122537787

IUPAC4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one
SMILESCNCc1nc2cc3c(-c4ccccc4)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C19H16N2O3/c1-11-18-14(8-15-19(11)23-16(21-15)10-20-2)13(9-17(22)24-18)12-6-4-3-5-7-12/h3-9,20H,10H2,1-2H3
InChIKeyADMSUHRQXCLNKC-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.63
Rot. Bonds3

About 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one

4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one (PubChem CID 122537787) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one
PubChem CID122537787
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one
SMILESCNCc1nc2cc3c(-c4ccccc4)cc(=O)oc3c(C)c2o1
InChIInChI=1S/C19H16N2O3/c1-11-18-14(8-15-19(11)23-16(21-15)10-20-2)13(9-17(22)24-18)12-6-4-3-5-7-12/h3-9,20H,10H2,1-2H3
InChIKeyADMSUHRQXCLNKC-UHFFFAOYSA-N
XLogP3.63
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one (CID 122537787) is 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one is CNCc1nc2cc3c(-c4ccccc4)cc(=O)oc3c(C)c2o1.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one?
The InChIKey is ADMSUHRQXCLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-18-14(8-15-19(11)23-16(21-15)10-20-2)13(9-17(22)24-18)12-6-4-3-5-7-12/h3-9,20H,10H2,1-2H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one?
4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one has a molecular weight of 320.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-8-phenylpyrano[3,2-f][1,3]benzoxazol-6-one is sourced from PubChem (CID 122537787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).