10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C17H11ClN6O — CID 2007093

IUPAC10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1Cl
InChIInChI=1S/C17H11ClN6O/c1-10-4-5-11(7-13(10)18)24-16-12(8-20-24)17-21-15(14-3-2-6-25-14)22-23(17)9-19-16/h2-9H,1H3
InChIKeyRMJQLWQVIIRROW-UHFFFAOYSA-N
MW350.77 g/mol
LogP3.69
Rot. Bonds2

About 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 2007093) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID2007093
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1Cl
InChIInChI=1S/C17H11ClN6O/c1-10-4-5-11(7-13(10)18)24-16-12(8-20-24)17-21-15(14-3-2-6-25-14)22-23(17)9-19-16/h2-9H,1H3
InChIKeyRMJQLWQVIIRROW-UHFFFAOYSA-N
XLogP3.69
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 2007093) is 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1Cl.
What is the InChIKey of 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is RMJQLWQVIIRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c1-10-4-5-11(7-13(10)18)24-16-12(8-20-24)17-21-15(14-3-2-6-25-14)22-23(17)9-19-16/h2-9H,1H3.
What are the key properties of 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 350.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 2007093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).