2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol

C19H22N6O — CID 135575646

IUPAC2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol
SMILESCc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccccc4O)nc3c12
InChIInChI=1S/C19H22N6O/c1-12-13(2)24(10-9-23(3)4)18-16(12)19-21-17(22-25(19)11-20-18)14-7-5-6-8-15(14)26/h5-8,11,26H,9-10H2,1-4H3
InChIKeyRCGYCJRNIXKXRZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.63
Rot. Bonds4

About 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol

2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol (PubChem CID 135575646) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol.

Molecular Properties

Compound Name2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol
PubChem CID135575646
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol
SMILESCc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccccc4O)nc3c12
InChIInChI=1S/C19H22N6O/c1-12-13(2)24(10-9-23(3)4)18-16(12)19-21-17(22-25(19)11-20-18)14-7-5-6-8-15(14)26/h5-8,11,26H,9-10H2,1-4H3
InChIKeyRCGYCJRNIXKXRZ-UHFFFAOYSA-N
XLogP2.63
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol?
The IUPAC name of 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol (CID 135575646) is 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol.
What is the SMILES notation for 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol?
The canonical SMILES for 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol is Cc1c(C)n(CCN(C)C)c2ncn3nc(-c4ccccc4O)nc3c12.
What is the InChIKey of 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol?
The InChIKey is RCGYCJRNIXKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-13(2)24(10-9-23(3)4)18-16(12)19-21-17(22-25(19)11-20-18)14-7-5-6-8-15(14)26/h5-8,11,26H,9-10H2,1-4H3.
What are the key properties of 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol?
2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol has a molecular weight of 350.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[2-(dimethylamino)ethyl]-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]phenol is sourced from PubChem (CID 135575646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).