14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine

C18H20N2 — CID 71460293

IUPAC14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine
SMILESCN1c2ccccc2CN2CCCc3ccccc3C21
InChIInChI=1S/C18H20N2/c1-19-17-11-5-3-8-15(17)13-20-12-6-9-14-7-2-4-10-16(14)18(19)20/h2-5,7-8,10-11,18H,6,9,12-13H2,1H3
InChIKeyIQOLLSSUUDHAOT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.58
Rot. Bonds

About 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine

14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine (PubChem CID 71460293) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine.

Molecular Properties

Compound Name14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine
PubChem CID71460293
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine
SMILESCN1c2ccccc2CN2CCCc3ccccc3C21
InChIInChI=1S/C18H20N2/c1-19-17-11-5-3-8-15(17)13-20-12-6-9-14-7-2-4-10-16(14)18(19)20/h2-5,7-8,10-11,18H,6,9,12-13H2,1H3
InChIKeyIQOLLSSUUDHAOT-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine?
The IUPAC name of 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine (CID 71460293) is 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine.
What is the SMILES notation for 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine?
The canonical SMILES for 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine is CN1c2ccccc2CN2CCCc3ccccc3C21.
What is the InChIKey of 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine?
The InChIKey is IQOLLSSUUDHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-19-17-11-5-3-8-15(17)13-20-12-6-9-14-7-2-4-10-16(14)18(19)20/h2-5,7-8,10-11,18H,6,9,12-13H2,1H3.
What are the key properties of 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine?
14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine has a molecular weight of 264.37 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-6,7,9,14a-tetrahydro-5H-quinazolino[2,3-a][2]benzazepine is sourced from PubChem (CID 71460293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).