8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one

C18H15NO2 — CID 14594858

IUPAC8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one
SMILESCc1cc(C)c2c(c1)Cn1c(cc(=O)c3ccccc31)O2
InChIInChI=1S/C18H15NO2/c1-11-7-12(2)18-13(8-11)10-19-15-6-4-3-5-14(15)16(20)9-17(19)21-18/h3-9H,10H2,1-2H3
InChIKeyYGRUJYUTZSKWPJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.77
Rot. Bonds

About 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one

8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one (PubChem CID 14594858) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one.

Molecular Properties

Compound Name8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one
PubChem CID14594858
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one
SMILESCc1cc(C)c2c(c1)Cn1c(cc(=O)c3ccccc31)O2
InChIInChI=1S/C18H15NO2/c1-11-7-12(2)18-13(8-11)10-19-15-6-4-3-5-14(15)16(20)9-17(19)21-18/h3-9H,10H2,1-2H3
InChIKeyYGRUJYUTZSKWPJ-UHFFFAOYSA-N
XLogP3.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one?
The IUPAC name of 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one (CID 14594858) is 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one.
What is the SMILES notation for 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one?
The canonical SMILES for 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one is Cc1cc(C)c2c(c1)Cn1c(cc(=O)c3ccccc31)O2.
What is the InChIKey of 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one?
The InChIKey is YGRUJYUTZSKWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-7-12(2)18-13(8-11)10-19-15-6-4-3-5-14(15)16(20)9-17(19)21-18/h3-9H,10H2,1-2H3.
What are the key properties of 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one?
8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one has a molecular weight of 277.32 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-12H-quinolino[2,1-b][1,3]benzoxazin-5-one is sourced from PubChem (CID 14594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).