2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene

C18H16N2 — CID 54211564

IUPAC2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene
SMILESC1=CC2=Cc3cccc4c3=C(C3CCCC=C3N=4)N2C1
InChIInChI=1S/C18H16N2/c1-2-8-15-14(7-1)18-17-12(5-3-9-16(17)19-15)11-13-6-4-10-20(13)18/h3-6,8-9,11,14H,1-2,7,10H2
InChIKeyPWHRZYDPBZRMQW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.34
Rot. Bonds

About 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene

2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene (PubChem CID 54211564) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene
PubChem CID54211564
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene
SMILESC1=CC2=Cc3cccc4c3=C(C3CCCC=C3N=4)N2C1
InChIInChI=1S/C18H16N2/c1-2-8-15-14(7-1)18-17-12(5-3-9-16(17)19-15)11-13-6-4-10-20(13)18/h3-6,8-9,11,14H,1-2,7,10H2
InChIKeyPWHRZYDPBZRMQW-UHFFFAOYSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene with MolForge

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Related Compounds

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
2-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824927
3-fluoro-1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824930
9-Methyloctahydroindolo[2,3-a]quinolizine
CID 129734677
beta-Carbolinoindolizine
CID 129874838
1',5-dimethylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824936
1'-(cyclopropylmethyl)-5-methylspiro[1H-indolo[3,2-c]quinoline-6,4'-piperidine]
CID 19824939
1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
1,11-Diazatetracyclo[13.2.2.04,12.05,10]nonadeca-2,4,6,8,10,12,14-heptaene
CID 54020179
1'-Ethylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 56984596
1'-Propylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 56987228
1'-Methylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 57030538

Frequently Asked Questions

What is the IUPAC name of 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene?
The IUPAC name of 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene (CID 54211564) is 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene.
What is the SMILES notation for 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene?
The canonical SMILES for 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene is C1=CC2=Cc3cccc4c3=C(C3CCCC=C3N=4)N2C1.
What is the InChIKey of 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene?
The InChIKey is PWHRZYDPBZRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-8-15-14(7-1)18-17-12(5-3-9-16(17)19-15)11-13-6-4-10-20(13)18/h3-6,8-9,11,14H,1-2,7,10H2.
What are the key properties of 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene?
2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene has a molecular weight of 260.34 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene is sourced from PubChem (CID 54211564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).