3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene

C18H18N2 — CID 146184173

IUPAC3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene
SMILESC1=CN2C(=NCC3=C2C2CCC3CC2)c2ccccc21
InChIInChI=1S/C18H18N2/c1-2-4-15-12(3-1)9-10-20-17-14-7-5-13(6-8-14)16(17)11-19-18(15)20/h1-4,9-10,13-14H,5-8,11H2
InChIKeyYRKLNSXPOIJSJD-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.81
Rot. Bonds

About 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene

3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene (PubChem CID 146184173) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene.

Molecular Properties

Compound Name3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene
PubChem CID146184173
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene
SMILESC1=CN2C(=NCC3=C2C2CCC3CC2)c2ccccc21
InChIInChI=1S/C18H18N2/c1-2-4-15-12(3-1)9-10-20-17-14-7-5-13(6-8-14)16(17)11-19-18(15)20/h1-4,9-10,13-14H,5-8,11H2
InChIKeyYRKLNSXPOIJSJD-UHFFFAOYSA-N
XLogP3.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8H-isoquinolino[1,2-b]quinazoline
CID 132503377
4-methyl-[1,2,4]triazino[3,2-a]isoquinoline
CID 140590948
3,3-dimethyl-2-phenyl-[1,2,4,3]triazasilolo[5,4-a]isoquinoline
CID 177409767
(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
CID 139082581
2-cyclopropyl-3-phenyl-1H-indene
CID 134995236
11H-pyrrolo[2,1-b][3]benzazepine
CID 54568229
5-methylbenzo[d][1]benzazepine
CID 67174397
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
3-sulfanylidene-2H-imidazo[1,2-b]isoindol-5-one
CID 88529034
11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine
CID 12909385
3-(2-cyclopropylphenyl)pyridine-2,6-diamine
CID 139370145
1-(4-chlorophenyl)-3,4-dihydroisoquinoline
CID 14998904

Frequently Asked Questions

What is the IUPAC name of 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene?
The IUPAC name of 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene (CID 146184173) is 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene.
What is the SMILES notation for 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene?
The canonical SMILES for 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene is C1=CN2C(=NCC3=C2C2CCC3CC2)c2ccccc21.
What is the InChIKey of 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene?
The InChIKey is YRKLNSXPOIJSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-4-15-12(3-1)9-10-20-17-14-7-5-13(6-8-14)16(17)11-19-18(15)20/h1-4,9-10,13-14H,5-8,11H2.
What are the key properties of 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene?
3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene has a molecular weight of 262.36 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-diazapentacyclo[14.2.2.02,15.03,12.06,11]icosa-2(15),4,6,8,10,12-hexaene is sourced from PubChem (CID 146184173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).