2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene

C24H34N4 — CID 123333403

IUPAC2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene
SMILESCCC1(C)C2N(C)C=CN2c2cccc3c2C1(C)C(C)(CC)C1N(C)C=CN31
InChIInChI=1S/C24H34N4/c1-8-22(3)20-25(6)13-15-27(20)17-11-10-12-18-19(17)24(22,5)23(4,9-2)21-26(7)14-16-28(18)21/h10-16,20-21H,8-9H2,1-7H3
InChIKeyQNDHEZULJMAZTG-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.90
Rot. Bonds2

About 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene

2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene (PubChem CID 123333403) has the molecular formula C24H34N4 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene.

Molecular Properties

Compound Name2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene
PubChem CID123333403
Molecular FormulaC24H34N4
Molecular Weight378.56 g/mol
Exact Mass378.28
IUPAC Name2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene
SMILESCCC1(C)C2N(C)C=CN2c2cccc3c2C1(C)C(C)(CC)C1N(C)C=CN31
InChIInChI=1S/C24H34N4/c1-8-22(3)20-25(6)13-15-27(20)17-11-10-12-18-19(17)24(22,5)23(4,9-2)21-26(7)14-16-28(18)21/h10-16,20-21H,8-9H2,1-7H3
InChIKeyQNDHEZULJMAZTG-UHFFFAOYSA-N
XLogP4.90
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene with MolForge

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Related Compounds

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CID 130458154
1,3,15,17-tetramethyl-3,6,12,15-tetrazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-4,7,9,11(18),13-pentaene
CID 129254186
4-ethyl-3,5,5-trimethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782316
3,4,5,5-tetramethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782356
13-butyl-2,5-diethyl-4,7-dimethyl-7,10-diazatetracyclo[9.4.0.02,5.06,10]pentadeca-1(11),3,8,12,14-pentaene
CID 144805601
8,9-diethyl-8,9,11-trimethyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123524781
4,28,28-trimethyl-4,7,13,35-tetraza-33-azoniadodecacyclo[18.16.1.12,8.123,27.02,33.03,7.013,37.014,19.022,36.029,34.012,39.035,38]nonatriaconta-1(37),5,8,10,12(39),14,16,18,20,22(36),23(38),24,26,29(34),30,32-hexadecaene
CID 159592187
4,20,20,29,29-pentamethyl-4,7,13,36-tetraza-34-azoniadodecacyclo[19.16.1.12,8.124,28.02,34.03,7.013,38.014,19.023,37.030,35.012,40.036,39]tetraconta-1(37),5,8(40),9,11,14,16,18,21(38),22,24(39),25,27,30(35),31,33-hexadecaene
CID 158902812
12,13-diethyl-12,13-dimethyl-8,11-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,9,14,16-heptaene
CID 123661694
11-(2,6-dimethylphenyl)-2,4,6-trimethyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),7,10,12-tetraene
CID 174345978
4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
CID 145072065

Frequently Asked Questions

What is the IUPAC name of 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene?
The IUPAC name of 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene (CID 123333403) is 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene.
What is the SMILES notation for 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene?
The canonical SMILES for 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene is CCC1(C)C2N(C)C=CN2c2cccc3c2C1(C)C(C)(CC)C1N(C)C=CN31.
What is the InChIKey of 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene?
The InChIKey is QNDHEZULJMAZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4/c1-8-22(3)20-25(6)13-15-27(20)17-11-10-12-18-19(17)24(22,5)23(4,9-2)21-26(7)14-16-28(18)21/h10-16,20-21H,8-9H2,1-7H3.
What are the key properties of 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene?
2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene has a molecular weight of 378.56 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene is sourced from PubChem (CID 123333403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).