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

C18H22N4 — CID 129254186

IUPAC1,3,15,17-tetramethyl-3,6,12,15-tetrazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-4,7,9,11(18),13-pentaene
SMILESCC1C2N(C)C=CN2c2cccc3c2C1(C)C1N(C)C=CN31
InChIInChI=1S/C18H22N4/c1-12-16-19(3)8-10-21(16)13-6-5-7-14-15(13)18(12,2)17-20(4)9-11-22(14)17/h5-12,16-17H,1-4H3
InChIKeyNBPZWGJWWWSZOR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.71
Rot. Bonds

About 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

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 (PubChem CID 129254186) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,15,17-tetramethyl-3,6,12,15-tetrazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-4,7,9,11(18),13-pentaene
PubChem CID129254186
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name1,3,15,17-tetramethyl-3,6,12,15-tetrazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-4,7,9,11(18),13-pentaene
SMILESCC1C2N(C)C=CN2c2cccc3c2C1(C)C1N(C)C=CN31
InChIInChI=1S/C18H22N4/c1-12-16-19(3)8-10-21(16)13-6-5-7-14-15(13)18(12,2)17-20(4)9-11-22(14)17/h5-12,16-17H,1-4H3
InChIKeyNBPZWGJWWWSZOR-UHFFFAOYSA-N
XLogP2.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3,4,5,5-tetramethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782356
2,4,16,18-tetramethyl-4,7,13,16-tetrazahexacyclo[10.6.1.02,18.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene
CID 130458154
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
4-ethyl-3,5,5-trimethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782316
4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
CID 145072065
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
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
CID 148740840
13,15-dimethyl-8-oxa-10,13-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene
CID 59747553
8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
CID 123299560
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
3,5-dimethyl-4-[1-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazin-2-yl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
CID 126497137

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C2N(C)C=CN2c2cccc3c2C1(C)C1N(C)C=CN31.
What is the InChIKey of 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?
The InChIKey is NBPZWGJWWWSZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-12-16-19(3)8-10-21(16)13-6-5-7-14-15(13)18(12,2)17-20(4)9-11-22(14)17/h5-12,16-17H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 294.40 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129254186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).