5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

C19H18ClN7O — CID 135904438

IUPAC5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nn2c(nnc3c(=O)[nH]c(N4CCCCC4)nc32)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN7O/c1-11-14(12-6-5-7-13(20)10-12)16-24-23-15-17(27(16)25-11)21-19(22-18(15)28)26-8-3-2-4-9-26/h5-7,10H,2-4,8-9H2,1H3,(H,21,22,28)
InChIKeyFXCIGZQDTIPFQJ-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.98
Rot. Bonds2

About 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one

5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (PubChem CID 135904438) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
PubChem CID135904438
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
SMILESCc1nn2c(nnc3c(=O)[nH]c(N4CCCCC4)nc32)c1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN7O/c1-11-14(12-6-5-7-13(20)10-12)16-24-23-15-17(27(16)25-11)21-19(22-18(15)28)26-8-3-2-4-9-26/h5-7,10H,2-4,8-9H2,1H3,(H,21,22,28)
InChIKeyFXCIGZQDTIPFQJ-UHFFFAOYSA-N
XLogP2.98
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one 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 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The IUPAC name of 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one (CID 135904438) is 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is Cc1nn2c(nnc3c(=O)[nH]c(N4CCCCC4)nc32)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
The InChIKey is FXCIGZQDTIPFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O/c1-11-14(12-6-5-7-13(20)10-12)16-24-23-15-17(27(16)25-11)21-19(22-18(15)28)26-8-3-2-4-9-26/h5-7,10H,2-4,8-9H2,1H3,(H,21,22,28).
What are the key properties of 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one?
5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one has a molecular weight of 395.85 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one is sourced from PubChem (CID 135904438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).