3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one

C23H24N2O5 — CID 46959849

IUPAC3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESCCOc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(OC)c(OC)c1)C3
InChIInChI=1S/C23H24N2O5/c1-4-29-18-7-6-16-12-17-14-25(23(26)30-22(17)24-19(16)13-18)10-9-15-5-8-20(27-2)21(11-15)28-3/h5-8,11-13H,4,9-10,14H2,1-3H3
InChIKeySIMVSNQZMNFDDI-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.21
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one

3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one (PubChem CID 46959849) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one
PubChem CID46959849
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one
SMILESCCOc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(OC)c(OC)c1)C3
InChIInChI=1S/C23H24N2O5/c1-4-29-18-7-6-16-12-17-14-25(23(26)30-22(17)24-19(16)13-18)10-9-15-5-8-20(27-2)21(11-15)28-3/h5-8,11-13H,4,9-10,14H2,1-3H3
InChIKeySIMVSNQZMNFDDI-UHFFFAOYSA-N
XLogP4.21
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one (CID 46959849) is 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one is CCOc1ccc2cc3c(nc2c1)OC(=O)N(CCc1ccc(OC)c(OC)c1)C3.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
The InChIKey is SIMVSNQZMNFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-29-18-7-6-16-12-17-14-25(23(26)30-22(17)24-19(16)13-18)10-9-15-5-8-20(27-2)21(11-15)28-3/h5-8,11-13H,4,9-10,14H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one?
3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one has a molecular weight of 408.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-4H-[1,3]oxazino[6,5-b]quinolin-2-one is sourced from PubChem (CID 46959849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).