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

C19H22N4 — CID 130458154

IUPAC2,4,16,18-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
SMILESCN1C=CN2c3cccc4c3C3C(C)(C12)C3(C)C1N(C)C=CN41
InChIInChI=1S/C19H22N4/c1-18-15-14-12(22-10-8-20(3)16(18)22)6-5-7-13(14)23-11-9-21(4)17(23)19(15,18)2/h5-11,15-17H,1-4H3
InChIKeyDWQRFZFXLZWHIY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.92
Rot. Bonds

About 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

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 (PubChem CID 130458154) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4,16,18-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
PubChem CID130458154
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2,4,16,18-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
SMILESCN1C=CN2c3cccc4c3C3C(C)(C12)C3(C)C1N(C)C=CN41
InChIInChI=1S/C19H22N4/c1-18-15-14-12(22-10-8-20(3)16(18)22)6-5-7-13(14)23-11-9-21(4)17(23)19(15,18)2/h5-11,15-17H,1-4H3
InChIKeyDWQRFZFXLZWHIY-UHFFFAOYSA-N
XLogP2.92
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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3,4,5,5-tetramethyl-4-propyl-3aH-imidazo[1,2-a]quinoline
CID 90709937
2,18-Diethyl-2,4,16-trimethyl-4,7,13,16-tetrazahexacyclo[10.7.1.01,18.03,7.08,20.013,17]icosa-5,8(20),9,11,14-pentaene
CID 90722152
2,4-Diethyl-3,6-dimethyl-12-propyl-6,9-diazatetracyclo[8.4.0.02,4.05,9]tetradeca-1(10),7,11,13-tetraene
CID 90735090
5-ethyl-3,4,4,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
CID 90895463
4-ethenyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
CID 91058150
1,2-Diethyl-2,4,16-trimethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene
CID 91077529
4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
CID 91142347
(5S,19R)-2,5,6,18,19-pentamethyl-4,6,18,20-tetrazapentacyclo[11.7.0.03,11.04,8.016,20]icosa-1(13),2,7,11,16-pentaene
CID 117837578
(1R)-N-ethyl-1-[(6Z,12S)-6-ethylidene-12,13-dimethyl-7,11,13-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,14-tetraen-7-yl]-N-methylethanamine
CID 118410260
4,5-diethyl-3,4-dimethyl-5-prop-1-en-2-yl-3aH-imidazo[1,2-a]quinoline
CID 123192785
21-Ethenyl-3,8,21-triethyl-5,23-dimethyl-19-propan-2-yl-5-aza-8-azoniahexacyclo[11.8.1.114,20.01,3.04,8.09,22]tricosa-6,9,11,13(22),16-pentaene
CID 123315404

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C=CN2c3cccc4c3C3C(C)(C12)C3(C)C1N(C)C=CN41.
What is the InChIKey of 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?
The InChIKey is DWQRFZFXLZWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-18-15-14-12(22-10-8-20(3)16(18)22)6-5-7-13(14)23-11-9-21(4)17(23)19(15,18)2/h5-11,15-17H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 306.41 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130458154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).