CID 110211769

C25H24N4O3 — CID 110211769

IUPAC—
SMILESO=C1NC2(COC3(CCN(C(=O)c4cccc5cccnc45)CC3)C2)Nc2ccccc21
InChIInChI=1S/C25H24N4O3/c30-22-18-7-1-2-9-20(18)27-25(28-22)15-24(32-16-25)10-13-29(14-11-24)23(31)19-8-3-5-17-6-4-12-26-21(17)19/h1-9,12,27H,10-11,13-16H2,(H,28,30)
InChIKeyPHFGGVOVPDMSBI-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.18
Rot. Bonds1

About CID 110211769

CID 110211769 (PubChem CID 110211769) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol.

Molecular Properties

Compound NameCID 110211769
PubChem CID110211769
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(C(=O)c4cccc5cccnc45)CC3)C2)Nc2ccccc21
InChIInChI=1S/C25H24N4O3/c30-22-18-7-1-2-9-20(18)27-25(28-22)15-24(32-16-25)10-13-29(14-11-24)23(31)19-8-3-5-17-6-4-12-26-21(17)19/h1-9,12,27H,10-11,13-16H2,(H,28,30)
InChIKeyPHFGGVOVPDMSBI-UHFFFAOYSA-N
XLogP3.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 110211769?
The IUPAC name of CID 110211769 (CID 110211769) is not available.
What is the SMILES notation for CID 110211769?
The canonical SMILES for CID 110211769 is O=C1NC2(COC3(CCN(C(=O)c4cccc5cccnc45)CC3)C2)Nc2ccccc21.
What is the InChIKey of CID 110211769?
The InChIKey is PHFGGVOVPDMSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-22-18-7-1-2-9-20(18)27-25(28-22)15-24(32-16-25)10-13-29(14-11-24)23(31)19-8-3-5-17-6-4-12-26-21(17)19/h1-9,12,27H,10-11,13-16H2,(H,28,30).
What are the key properties of CID 110211769?
CID 110211769 has a molecular weight of 428.49 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211769 is sourced from PubChem (CID 110211769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).