CID 11420730

C25H23N2O2 — CID 11420730

IUPAC—
SMILESCOc1ccc(Cn2nc3c(c2[C]2[CH][CH][CH][CH]2)CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C25H23N2O2/c1-28-20-10-7-17(8-11-20)16-27-25(18-5-3-4-6-18)23-13-9-19-15-21(29-2)12-14-22(19)24(23)26-27/h3-8,10-12,14-15H,9,13,16H2,1-2H3
InChIKeyNQTAMCLZWRTVMG-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.47
Rot. Bonds5

About CID 11420730

CID 11420730 (PubChem CID 11420730) has the molecular formula C25H23N2O2 and a molecular weight of 383.47 g/mol.

Molecular Properties

Compound NameCID 11420730
PubChem CID11420730
Molecular FormulaC25H23N2O2
Molecular Weight383.47 g/mol
Exact Mass383.18
IUPAC Name—
SMILESCOc1ccc(Cn2nc3c(c2[C]2[CH][CH][CH][CH]2)CCc2cc(OC)ccc2-3)cc1
InChIInChI=1S/C25H23N2O2/c1-28-20-10-7-17(8-11-20)16-27-25(18-5-3-4-6-18)23-13-9-19-15-21(29-2)12-14-22(19)24(23)26-27/h3-8,10-12,14-15H,9,13,16H2,1-2H3
InChIKeyNQTAMCLZWRTVMG-UHFFFAOYSA-N
XLogP4.47
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11420730?
The IUPAC name of CID 11420730 (CID 11420730) is not available.
What is the SMILES notation for CID 11420730?
The canonical SMILES for CID 11420730 is COc1ccc(Cn2nc3c(c2[C]2[CH][CH][CH][CH]2)CCc2cc(OC)ccc2-3)cc1.
What is the InChIKey of CID 11420730?
The InChIKey is NQTAMCLZWRTVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2O2/c1-28-20-10-7-17(8-11-20)16-27-25(18-5-3-4-6-18)23-13-9-19-15-21(29-2)12-14-22(19)24(23)26-27/h3-8,10-12,14-15H,9,13,16H2,1-2H3.
What are the key properties of CID 11420730?
CID 11420730 has a molecular weight of 383.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11420730 is sourced from PubChem (CID 11420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).