4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine

C18H23N3 — CID 134808372

IUPAC4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCC(C)CN1CCNc2cc(-c3ccccc3)ncc2C1
InChIInChI=1S/C18H23N3/c1-14(2)12-21-9-8-19-18-10-17(20-11-16(18)13-21)15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12-13H2,1-2H3
InChIKeyMROIXTBKCMSEAQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.63
Rot. Bonds3

About 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine

4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (PubChem CID 134808372) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
PubChem CID134808372
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine
SMILESCC(C)CN1CCNc2cc(-c3ccccc3)ncc2C1
InChIInChI=1S/C18H23N3/c1-14(2)12-21-9-8-19-18-10-17(20-11-16(18)13-21)15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12-13H2,1-2H3
InChIKeyMROIXTBKCMSEAQ-UHFFFAOYSA-N
XLogP3.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The IUPAC name of 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine (CID 134808372) is 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine.
What is the SMILES notation for 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The canonical SMILES for 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is CC(C)CN1CCNc2cc(-c3ccccc3)ncc2C1.
What is the InChIKey of 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
The InChIKey is MROIXTBKCMSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(2)12-21-9-8-19-18-10-17(20-11-16(18)13-21)15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12-13H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine?
4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine has a molecular weight of 281.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-8-phenyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepine is sourced from PubChem (CID 134808372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).