6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine

C17H18N4O — CID 10402195

IUPAC6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine
SMILESCN1CCN(C2=Nc3cccnc3Oc3ccccc32)CC1
InChIInChI=1S/C17H18N4O/c1-20-9-11-21(12-10-20)16-13-5-2-3-7-15(13)22-17-14(19-16)6-4-8-18-17/h2-8H,9-12H2,1H3
InChIKeyLSUUDGRQSAQSCO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.51
Rot. Bonds

About 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine

6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine (PubChem CID 10402195) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine
PubChem CID10402195
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine
SMILESCN1CCN(C2=Nc3cccnc3Oc3ccccc32)CC1
InChIInChI=1S/C17H18N4O/c1-20-9-11-21(12-10-20)16-13-5-2-3-7-15(13)22-17-14(19-16)6-4-8-18-17/h2-8H,9-12H2,1H3
InChIKeyLSUUDGRQSAQSCO-UHFFFAOYSA-N
XLogP2.51
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine (CID 10402195) is 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine is CN1CCN(C2=Nc3cccnc3Oc3ccccc32)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine?
The InChIKey is LSUUDGRQSAQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20-9-11-21(12-10-20)16-13-5-2-3-7-15(13)22-17-14(19-16)6-4-8-18-17/h2-8H,9-12H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine?
6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine has a molecular weight of 294.36 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,4]benzoxazepine is sourced from PubChem (CID 10402195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).