CID 53360585

C22H24ClN2O2 — CID 53360585

IUPAC—
SMILESCCC(CNc1ccnc2cc(Cl)ccc12)OC(=O)CCC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C22H24ClN2O2/c1-2-18(27-22(26)9-5-8-16-6-3-4-7-16)15-25-20-12-13-24-21-14-17(23)10-11-19(20)21/h3-4,6-7,10-14,18H,2,5,8-9,15H2,1H3,(H,24,25)
InChIKeyVPSFQNQMTRWBJG-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.20
Rot. Bonds9

About CID 53360585

CID 53360585 (PubChem CID 53360585) has the molecular formula C22H24ClN2O2 and a molecular weight of 383.90 g/mol.

Molecular Properties

Compound NameCID 53360585
PubChem CID53360585
Molecular FormulaC22H24ClN2O2
Molecular Weight383.90 g/mol
Exact Mass383.15
IUPAC Name—
SMILESCCC(CNc1ccnc2cc(Cl)ccc12)OC(=O)CCC[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C22H24ClN2O2/c1-2-18(27-22(26)9-5-8-16-6-3-4-7-16)15-25-20-12-13-24-21-14-17(23)10-11-19(20)21/h3-4,6-7,10-14,18H,2,5,8-9,15H2,1H3,(H,24,25)
InChIKeyVPSFQNQMTRWBJG-UHFFFAOYSA-N
XLogP5.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 53360585?
The IUPAC name of CID 53360585 (CID 53360585) is not available.
What is the SMILES notation for CID 53360585?
The canonical SMILES for CID 53360585 is CCC(CNc1ccnc2cc(Cl)ccc12)OC(=O)CCC[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 53360585?
The InChIKey is VPSFQNQMTRWBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN2O2/c1-2-18(27-22(26)9-5-8-16-6-3-4-7-16)15-25-20-12-13-24-21-14-17(23)10-11-19(20)21/h3-4,6-7,10-14,18H,2,5,8-9,15H2,1H3,(H,24,25).
What are the key properties of CID 53360585?
CID 53360585 has a molecular weight of 383.90 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53360585 is sourced from PubChem (CID 53360585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).