4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one

C20H20N2O3 — CID 16668039

IUPAC4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
SMILESCc1ccc2cc3c(nc2c1C)OC(C)C(=O)N(Cc1ccco1)C3
InChIInChI=1S/C20H20N2O3/c1-12-6-7-15-9-16-10-22(11-17-5-4-8-24-17)20(23)14(3)25-19(16)21-18(15)13(12)2/h4-9,14H,10-11H2,1-3H3
InChIKeyFEOMAUUPVSYQSI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.75
Rot. Bonds2

About 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one

4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one (PubChem CID 16668039) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
PubChem CID16668039
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one
SMILESCc1ccc2cc3c(nc2c1C)OC(C)C(=O)N(Cc1ccco1)C3
InChIInChI=1S/C20H20N2O3/c1-12-6-7-15-9-16-10-22(11-17-5-4-8-24-17)20(23)14(3)25-19(16)21-18(15)13(12)2/h4-9,14H,10-11H2,1-3H3
InChIKeyFEOMAUUPVSYQSI-UHFFFAOYSA-N
XLogP3.75
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
The IUPAC name of 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one (CID 16668039) is 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one.
What is the SMILES notation for 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
The canonical SMILES for 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one is Cc1ccc2cc3c(nc2c1C)OC(C)C(=O)N(Cc1ccco1)C3.
What is the InChIKey of 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
The InChIKey is FEOMAUUPVSYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-6-7-15-9-16-10-22(11-17-5-4-8-24-17)20(23)14(3)25-19(16)21-18(15)13(12)2/h4-9,14H,10-11H2,1-3H3.
What are the key properties of 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one?
4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one has a molecular weight of 336.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-2,9,10-trimethyl-5H-[1,4]oxazepino[7,6-b]quinolin-3-one is sourced from PubChem (CID 16668039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).