CID 118468758

C17H11ClKN2O2 — CID 118468758

IUPAC—
SMILESO=C(O)c1cccnc1-c1cccc(-c2ccc(Cl)cc2)n1.[K]
InChIInChI=1S/C17H11ClN2O2.K/c18-12-8-6-11(7-9-12)14-4-1-5-15(20-14)16-13(17(21)22)3-2-10-19-16;/h1-10H,(H,21,22);
InChIKeyAKCVRLDDJHCZRM-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.78
Rot. Bonds3

About CID 118468758

CID 118468758 (PubChem CID 118468758) has the molecular formula C17H11ClKN2O2 and a molecular weight of 349.84 g/mol.

Molecular Properties

Compound NameCID 118468758
PubChem CID118468758
Molecular FormulaC17H11ClKN2O2
Molecular Weight349.84 g/mol
Exact Mass349.01
IUPAC Name—
SMILESO=C(O)c1cccnc1-c1cccc(-c2ccc(Cl)cc2)n1.[K]
InChIInChI=1S/C17H11ClN2O2.K/c18-12-8-6-11(7-9-12)14-4-1-5-15(20-14)16-13(17(21)22)3-2-10-19-16;/h1-10H,(H,21,22);
InChIKeyAKCVRLDDJHCZRM-UHFFFAOYSA-N
XLogP3.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 118468758?
The IUPAC name of CID 118468758 (CID 118468758) is not available.
What is the SMILES notation for CID 118468758?
The canonical SMILES for CID 118468758 is O=C(O)c1cccnc1-c1cccc(-c2ccc(Cl)cc2)n1.[K].
What is the InChIKey of CID 118468758?
The InChIKey is AKCVRLDDJHCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2.K/c18-12-8-6-11(7-9-12)14-4-1-5-15(20-14)16-13(17(21)22)3-2-10-19-16;/h1-10H,(H,21,22);.
What are the key properties of CID 118468758?
CID 118468758 has a molecular weight of 349.84 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118468758 is sourced from PubChem (CID 118468758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).