8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine

C20H27N3O3 — CID 166560550

IUPAC8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(NC4CCNCC4)c2cc1OC)CCOCC3
InChIInChI=1S/C20H27N3O3/c1-24-18-11-15-17(12-19(18)25-2)23-16-6-10-26-9-5-14(16)20(15)22-13-3-7-21-8-4-13/h11-13,21H,3-10H2,1-2H3,(H,22,23)
InChIKeySSWNTDMKXWHZIY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.53
Rot. Bonds4

About 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine

8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine (PubChem CID 166560550) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine.

Molecular Properties

Compound Name8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
PubChem CID166560550
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
SMILESCOc1cc2nc3c(c(NC4CCNCC4)c2cc1OC)CCOCC3
InChIInChI=1S/C20H27N3O3/c1-24-18-11-15-17(12-19(18)25-2)23-16-6-10-26-9-5-14(16)20(15)22-13-3-7-21-8-4-13/h11-13,21H,3-10H2,1-2H3,(H,22,23)
InChIKeySSWNTDMKXWHZIY-UHFFFAOYSA-N
XLogP2.53
TPSA64.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The IUPAC name of 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine (CID 166560550) is 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine.
What is the SMILES notation for 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The canonical SMILES for 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine is COc1cc2nc3c(c(NC4CCNCC4)c2cc1OC)CCOCC3.
What is the InChIKey of 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
The InChIKey is SSWNTDMKXWHZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-24-18-11-15-17(12-19(18)25-2)23-16-6-10-26-9-5-14(16)20(15)22-13-3-7-21-8-4-13/h11-13,21H,3-10H2,1-2H3,(H,22,23).
What are the key properties of 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine?
8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine has a molecular weight of 357.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-N-piperidin-4-yl-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine is sourced from PubChem (CID 166560550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).