CID 67894241

C21H18N2NaO3 — CID 67894241

IUPAC—
SMILESO=C(O)CCC(=O)Nc1cccc(C=Cc2ccc3ccccc3n2)c1.[Na]
InChIInChI=1S/C21H18N2O3.Na/c24-20(12-13-21(25)26)23-18-6-3-4-15(14-18)8-10-17-11-9-16-5-1-2-7-19(16)22-17;/h1-11,14H,12-13H2,(H,23,24)(H,25,26);
InChIKeyFNTRFMFIRSGBFB-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.83
Rot. Bonds6

About CID 67894241

CID 67894241 (PubChem CID 67894241) has the molecular formula C21H18N2NaO3 and a molecular weight of 369.38 g/mol.

Molecular Properties

Compound NameCID 67894241
PubChem CID67894241
Molecular FormulaC21H18N2NaO3
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name—
SMILESO=C(O)CCC(=O)Nc1cccc(C=Cc2ccc3ccccc3n2)c1.[Na]
InChIInChI=1S/C21H18N2O3.Na/c24-20(12-13-21(25)26)23-18-6-3-4-15(14-18)8-10-17-11-9-16-5-1-2-7-19(16)22-17;/h1-11,14H,12-13H2,(H,23,24)(H,25,26);
InChIKeyFNTRFMFIRSGBFB-UHFFFAOYSA-N
XLogP3.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[3-carboxypropylsulfanyl-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]sulfanylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 67894241?
The IUPAC name of CID 67894241 (CID 67894241) is not available.
What is the SMILES notation for CID 67894241?
The canonical SMILES for CID 67894241 is O=C(O)CCC(=O)Nc1cccc(C=Cc2ccc3ccccc3n2)c1.[Na].
What is the InChIKey of CID 67894241?
The InChIKey is FNTRFMFIRSGBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3.Na/c24-20(12-13-21(25)26)23-18-6-3-4-15(14-18)8-10-17-11-9-16-5-1-2-7-19(16)22-17;/h1-11,14H,12-13H2,(H,23,24)(H,25,26);.
What are the key properties of CID 67894241?
CID 67894241 has a molecular weight of 369.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67894241 is sourced from PubChem (CID 67894241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).