10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

C15H18N2O — CID 110233520

IUPAC10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCCc1cccc2cc3c(nc12)OC(C)CNC3
InChIInChI=1S/C15H18N2O/c1-3-11-5-4-6-12-7-13-9-16-8-10(2)18-15(13)17-14(11)12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyHKTZEJCBDIVEIO-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.67
Rot. Bonds1

About 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 110233520) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
PubChem CID110233520
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCCc1cccc2cc3c(nc12)OC(C)CNC3
InChIInChI=1S/C15H18N2O/c1-3-11-5-4-6-12-7-13-9-16-8-10(2)18-15(13)17-14(11)12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyHKTZEJCBDIVEIO-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (CID 110233520) is 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is CCc1cccc2cc3c(nc12)OC(C)CNC3.
What is the InChIKey of 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is HKTZEJCBDIVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-11-5-4-6-12-7-13-9-16-8-10(2)18-15(13)17-14(11)12/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 242.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 110233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).