CID 139246866

C21H17N3 — CID 139246866

IUPAC—
SMILES[C]1N(c2ccccc2)C=CN1[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H17N3/c1-3-9-18(10-4-1)21(20-13-7-8-14-22-20)24-16-15-23(17-24)19-11-5-2-6-12-19/h1-16,21H/t21-/m1/s1
InChIKeyQFHWQIFZXVAXPP-OAQYLSRUSA-N
MW311.39 g/mol
LogP4.46
Rot. Bonds4

About CID 139246866

CID 139246866 (PubChem CID 139246866) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol.

Molecular Properties

Compound NameCID 139246866
PubChem CID139246866
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name—
SMILES[C]1N(c2ccccc2)C=CN1[C@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H17N3/c1-3-9-18(10-4-1)21(20-13-7-8-14-22-20)24-16-15-23(17-24)19-11-5-2-6-12-19/h1-16,21H/t21-/m1/s1
InChIKeyQFHWQIFZXVAXPP-OAQYLSRUSA-N
XLogP4.46
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 139246866?
The IUPAC name of CID 139246866 (CID 139246866) is not available.
What is the SMILES notation for CID 139246866?
The canonical SMILES for CID 139246866 is [C]1N(c2ccccc2)C=CN1[C@H](c1ccccc1)c1ccccn1.
What is the InChIKey of CID 139246866?
The InChIKey is QFHWQIFZXVAXPP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17N3/c1-3-9-18(10-4-1)21(20-13-7-8-14-22-20)24-16-15-23(17-24)19-11-5-2-6-12-19/h1-16,21H/t21-/m1/s1.
What are the key properties of CID 139246866?
CID 139246866 has a molecular weight of 311.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139246866 is sourced from PubChem (CID 139246866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).