CID 58199588

C24H27N4O — CID 58199588

IUPAC—
SMILESOc1ccc(CCCc2nccc(-c3cccc(CN4[CH]CNCC4)c3)n2)cc1
InChIInChI=1S/C24H27N4O/c29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h1,4-5,7-12,15,17,25,29H,2-3,6,13-14,16,18H2
InChIKeyAYCOMHDDRXICDV-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.59
Rot. Bonds7

About CID 58199588

CID 58199588 (PubChem CID 58199588) has the molecular formula C24H27N4O and a molecular weight of 387.51 g/mol.

Molecular Properties

Compound NameCID 58199588
PubChem CID58199588
Molecular FormulaC24H27N4O
Molecular Weight387.51 g/mol
Exact Mass387.22
IUPAC Name—
SMILESOc1ccc(CCCc2nccc(-c3cccc(CN4[CH]CNCC4)c3)n2)cc1
InChIInChI=1S/C24H27N4O/c29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h1,4-5,7-12,15,17,25,29H,2-3,6,13-14,16,18H2
InChIKeyAYCOMHDDRXICDV-UHFFFAOYSA-N
XLogP3.59
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58199588?
The IUPAC name of CID 58199588 (CID 58199588) is not available.
What is the SMILES notation for CID 58199588?
The canonical SMILES for CID 58199588 is Oc1ccc(CCCc2nccc(-c3cccc(CN4[CH]CNCC4)c3)n2)cc1.
What is the InChIKey of CID 58199588?
The InChIKey is AYCOMHDDRXICDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N4O/c29-22-9-7-19(8-10-22)3-2-6-24-26-12-11-23(27-24)21-5-1-4-20(17-21)18-28-15-13-25-14-16-28/h1,4-5,7-12,15,17,25,29H,2-3,6,13-14,16,18H2.
What are the key properties of CID 58199588?
CID 58199588 has a molecular weight of 387.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58199588 is sourced from PubChem (CID 58199588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).