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

C13H14N2O — CID 155364147

IUPAC8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1ccc2nc3c(cc2c1)CNCCO3
InChIInChI=1S/C13H14N2O/c1-9-2-3-12-10(6-9)7-11-8-14-4-5-16-13(11)15-12/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyREGZQVFJEBXICK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.03
Rot. Bonds

About 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 155364147) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
PubChem CID155364147
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCc1ccc2nc3c(cc2c1)CNCCO3
InChIInChI=1S/C13H14N2O/c1-9-2-3-12-10(6-9)7-11-8-14-4-5-16-13(11)15-12/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyREGZQVFJEBXICK-UHFFFAOYSA-N
XLogP2.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (CID 155364147) is 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is Cc1ccc2nc3c(cc2c1)CNCCO3.
What is the InChIKey of 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is REGZQVFJEBXICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-3-12-10(6-9)7-11-8-14-4-5-16-13(11)15-12/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 214.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 155364147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).