8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine

C18H20N4O — CID 10040938

IUPAC8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
SMILESCc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccnc1O2
InChIInChI=1S/C18H20N4O/c1-13-5-6-16-15(12-13)20-17(22-10-8-21(2)9-11-22)14-4-3-7-19-18(14)23-16/h3-7,12H,8-11H2,1-2H3
InChIKeyNDRLZNWSSNZRJD-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.82
Rot. Bonds

About 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine

8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine (PubChem CID 10040938) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine.

Molecular Properties

Compound Name8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
PubChem CID10040938
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
SMILESCc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccnc1O2
InChIInChI=1S/C18H20N4O/c1-13-5-6-16-15(12-13)20-17(22-10-8-21(2)9-11-22)14-4-3-7-19-18(14)23-16/h3-7,12H,8-11H2,1-2H3
InChIKeyNDRLZNWSSNZRJD-UHFFFAOYSA-N
XLogP2.82
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine?
The IUPAC name of 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine (CID 10040938) is 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine.
What is the SMILES notation for 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine?
The canonical SMILES for 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine is Cc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cccnc1O2.
What is the InChIKey of 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine?
The InChIKey is NDRLZNWSSNZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-5-6-16-15(12-13)20-17(22-10-8-21(2)9-11-22)14-4-3-7-19-18(14)23-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine?
8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine has a molecular weight of 308.38 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine is sourced from PubChem (CID 10040938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).