4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one

C17H21NO2 — CID 44668519

IUPAC4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one
SMILESCC(C)=C1OC(=O)C(C)(C)C2CCc3ccccc3N12
InChIInChI=1S/C17H21NO2/c1-11(2)15-18-13-8-6-5-7-12(13)9-10-14(18)17(3,4)16(19)20-15/h5-8,14H,9-10H2,1-4H3
InChIKeyLNKVVAWFDPHGQB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds

About 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one

4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one (PubChem CID 44668519) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one
PubChem CID44668519
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one
SMILESCC(C)=C1OC(=O)C(C)(C)C2CCc3ccccc3N12
InChIInChI=1S/C17H21NO2/c1-11(2)15-18-13-8-6-5-7-12(13)9-10-14(18)17(3,4)16(19)20-15/h5-8,14H,9-10H2,1-4H3
InChIKeyLNKVVAWFDPHGQB-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]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 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one (CID 44668519) is 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one is CC(C)=C1OC(=O)C(C)(C)C2CCc3ccccc3N12.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one?
The InChIKey is LNKVVAWFDPHGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)15-18-13-8-6-5-7-12(13)9-10-14(18)17(3,4)16(19)20-15/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one?
4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one has a molecular weight of 271.36 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propan-2-ylidene-5,6-dihydro-4aH-[1,3]oxazino[3,4-a]quinolin-3-one is sourced from PubChem (CID 44668519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).