8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C18H18N4O2 — CID 67216891

IUPAC8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCOCCc1nc2[nH]ccc2n2cnc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C18H18N4O2/c1-23-10-8-14-17-16(12-3-5-13(24-2)6-4-12)20-11-22(17)15-7-9-19-18(15)21-14/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyJWVBSJDJBKIKFC-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.08
Rot. Bonds5

About 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 67216891) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID67216891
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCOCCc1nc2[nH]ccc2n2cnc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C18H18N4O2/c1-23-10-8-14-17-16(12-3-5-13(24-2)6-4-12)20-11-22(17)15-7-9-19-18(15)21-14/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyJWVBSJDJBKIKFC-UHFFFAOYSA-N
XLogP3.08
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382208
10-(4-methoxy-2-methylphenyl)-8-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 67217151
1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 58880620
4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
CID 70307884
10-(4-methoxyphenyl)-12-(piperidin-1-ylmethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382321
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
10-(4-methoxyphenyl)-12-(piperazin-1-ylmethyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 67363526
4-[5-(2-methoxyethyl)-2-(4-methoxyphenyl)-3-pyridinyl]benzoic acid
CID 138532493
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53369144
2,2,2-trifluoro-N-[2-[1-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]ethyl]acetamide
CID 119056741
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
N-tert-butyl-8-(4-methoxyphenyl)-1H-imidazo[2,1-f]purin-7-amine
CID 136704313

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 67216891) is 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is COCCc1nc2[nH]ccc2n2cnc(-c3ccc(OC)cc3)c12.
What is the InChIKey of 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is JWVBSJDJBKIKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-23-10-8-14-17-16(12-3-5-13(24-2)6-4-12)20-11-22(17)15-7-9-19-18(15)21-14/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 322.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-10-(4-methoxyphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 67216891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).