6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

C20H18ClNO3 — CID 2025195

IUPAC6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1ccc(CN2COc3c(Cl)cc4c(C)cc(=O)oc4c3C2)cc1
InChIInChI=1S/C20H18ClNO3/c1-12-3-5-14(6-4-12)9-22-10-16-19-15(13(2)7-18(23)25-19)8-17(21)20(16)24-11-22/h3-8H,9-11H2,1-2H3
InChIKeyNOUKWRPUQFNKGH-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.42
Rot. Bonds2

About 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 2025195) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID2025195
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1ccc(CN2COc3c(Cl)cc4c(C)cc(=O)oc4c3C2)cc1
InChIInChI=1S/C20H18ClNO3/c1-12-3-5-14(6-4-12)9-22-10-16-19-15(13(2)7-18(23)25-19)8-17(21)20(16)24-11-22/h3-8H,9-11H2,1-2H3
InChIKeyNOUKWRPUQFNKGH-UHFFFAOYSA-N
XLogP4.42
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 2025195) is 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is Cc1ccc(CN2COc3c(Cl)cc4c(C)cc(=O)oc4c3C2)cc1.
What is the InChIKey of 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is NOUKWRPUQFNKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-12-3-5-14(6-4-12)9-22-10-16-19-15(13(2)7-18(23)25-19)8-17(21)20(16)24-11-22/h3-8H,9-11H2,1-2H3.
What are the key properties of 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 355.82 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-9-[(4-methylphenyl)methyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 2025195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).