10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C19H21N5O — CID 20898259

IUPAC10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCCCc1nc2c3c(C)c(C)n(-c4cccc(OC)c4)c3ncn2n1
InChIInChI=1S/C19H21N5O/c1-5-7-16-21-19-17-12(2)13(3)24(18(17)20-11-23(19)22-16)14-8-6-9-15(10-14)25-4/h6,8-11H,5,7H2,1-4H3
InChIKeyRRWXPXFYXNIIJD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds4

About 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898259) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898259
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCCCc1nc2c3c(C)c(C)n(-c4cccc(OC)c4)c3ncn2n1
InChIInChI=1S/C19H21N5O/c1-5-7-16-21-19-17-12(2)13(3)24(18(17)20-11-23(19)22-16)14-8-6-9-15(10-14)25-4/h6,8-11H,5,7H2,1-4H3
InChIKeyRRWXPXFYXNIIJD-UHFFFAOYSA-N
XLogP3.65
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898259) is 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is CCCc1nc2c3c(C)c(C)n(-c4cccc(OC)c4)c3ncn2n1.
What is the InChIKey of 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is RRWXPXFYXNIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-5-7-16-21-19-17-12(2)13(3)24(18(17)20-11-23(19)22-16)14-8-6-9-15(10-14)25-4/h6,8-11H,5,7H2,1-4H3.
What are the key properties of 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 335.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methoxyphenyl)-11,12-dimethyl-4-propyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20898259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).