CID 19688767

C21H22N4 — CID 19688767

IUPAC—
SMILESc1ccc2c(c1)=NC1(CCCCCCCC13N=c1ccccc1=N3)N=2
InChIInChI=1S/C21H22N4/c1-2-8-14-20(22-16-10-4-5-11-17(16)23-20)21(15-9-3-1)24-18-12-6-7-13-19(18)25-21/h4-7,10-13H,1-3,8-9,14-15H2
InChIKeyCMYWWIAABYHQIF-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.03
Rot. Bonds

About CID 19688767

CID 19688767 (PubChem CID 19688767) has the molecular formula C21H22N4 and a molecular weight of 330.43 g/mol.

Molecular Properties

Compound NameCID 19688767
PubChem CID19688767
Molecular FormulaC21H22N4
Molecular Weight330.43 g/mol
Exact Mass330.18
IUPAC Name—
SMILESc1ccc2c(c1)=NC1(CCCCCCCC13N=c1ccccc1=N3)N=2
InChIInChI=1S/C21H22N4/c1-2-8-14-20(22-16-10-4-5-11-17(16)23-20)21(15-9-3-1)24-18-12-6-7-13-19(18)25-21/h4-7,10-13H,1-3,8-9,14-15H2
InChIKeyCMYWWIAABYHQIF-UHFFFAOYSA-N
XLogP2.03
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 19688767 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 CID 19688767?
The IUPAC name of CID 19688767 (CID 19688767) is not available.
What is the SMILES notation for CID 19688767?
The canonical SMILES for CID 19688767 is c1ccc2c(c1)=NC1(CCCCCCCC13N=c1ccccc1=N3)N=2.
What is the InChIKey of CID 19688767?
The InChIKey is CMYWWIAABYHQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-8-14-20(22-16-10-4-5-11-17(16)23-20)21(15-9-3-1)24-18-12-6-7-13-19(18)25-21/h4-7,10-13H,1-3,8-9,14-15H2.
What are the key properties of CID 19688767?
CID 19688767 has a molecular weight of 330.43 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19688767 is sourced from PubChem (CID 19688767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).