(2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline

C14H16N2O — CID 138712547

IUPAC(2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline
SMILESCCc1ccc2cc3c(nc2c1)NC[C@H](C)O3
InChIInChI=1S/C14H16N2O/c1-3-10-4-5-11-7-13-14(16-12(11)6-10)15-8-9(2)17-13/h4-7,9H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCAVIEPQEFFUSHT-VIFPVBQESA-N
MW228.29 g/mol
LogP2.99
Rot. Bonds1

About (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline

(2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline (PubChem CID 138712547) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline.

Molecular Properties

Compound Name(2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline
PubChem CID138712547
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline
SMILESCCc1ccc2cc3c(nc2c1)NC[C@H](C)O3
InChIInChI=1S/C14H16N2O/c1-3-10-4-5-11-7-13-14(16-12(11)6-10)15-8-9(2)17-13/h4-7,9H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCAVIEPQEFFUSHT-VIFPVBQESA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline?
The IUPAC name of (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline (CID 138712547) is (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline.
What is the SMILES notation for (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline?
The canonical SMILES for (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline is CCc1ccc2cc3c(nc2c1)NC[C@H](C)O3.
What is the InChIKey of (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline?
The InChIKey is CAVIEPQEFFUSHT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-10-4-5-11-7-13-14(16-12(11)6-10)15-8-9(2)17-13/h4-7,9H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline?
(2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline has a molecular weight of 228.29 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-ethyl-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinoline is sourced from PubChem (CID 138712547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).