CID 163109219

C24H19N5O5 — CID 163109219

IUPAC—
SMILESNC(=O)c1nc2ccccc2c(=O)n1C1CC2(OC1=O)c1ccccc1N1C(=O)C3(CC3)NC12
InChIInChI=1S/C24H19N5O5/c25-17(30)18-26-14-7-3-1-5-12(14)19(31)28(18)16-11-24(34-20(16)32)13-6-2-4-8-15(13)29-21(24)27-23(9-10-23)22(29)33/h1-8,16,21,27H,9-11H2,(H2,25,30)
InChIKeyHAVIBNPHVLWVSR-UHFFFAOYSA-N
MW457.45 g/mol
LogP0.69
Rot. Bonds2

About CID 163109219

CID 163109219 (PubChem CID 163109219) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol.

Molecular Properties

Compound NameCID 163109219
PubChem CID163109219
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC Name—
SMILESNC(=O)c1nc2ccccc2c(=O)n1C1CC2(OC1=O)c1ccccc1N1C(=O)C3(CC3)NC12
InChIInChI=1S/C24H19N5O5/c25-17(30)18-26-14-7-3-1-5-12(14)19(31)28(18)16-11-24(34-20(16)32)13-6-2-4-8-15(13)29-21(24)27-23(9-10-23)22(29)33/h1-8,16,21,27H,9-11H2,(H2,25,30)
InChIKeyHAVIBNPHVLWVSR-UHFFFAOYSA-N
XLogP0.69
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 163109219?
The IUPAC name of CID 163109219 (CID 163109219) is not available.
What is the SMILES notation for CID 163109219?
The canonical SMILES for CID 163109219 is NC(=O)c1nc2ccccc2c(=O)n1C1CC2(OC1=O)c1ccccc1N1C(=O)C3(CC3)NC12.
What is the InChIKey of CID 163109219?
The InChIKey is HAVIBNPHVLWVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5/c25-17(30)18-26-14-7-3-1-5-12(14)19(31)28(18)16-11-24(34-20(16)32)13-6-2-4-8-15(13)29-21(24)27-23(9-10-23)22(29)33/h1-8,16,21,27H,9-11H2,(H2,25,30).
What are the key properties of CID 163109219?
CID 163109219 has a molecular weight of 457.45 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163109219 is sourced from PubChem (CID 163109219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).