CID 163578418

C24H26N4O4 — CID 163578418

IUPAC—
SMILESCOC1=CC(c2ccc3c(c2)C2(CC4(CCCOC4)O3)N=C(N)N(C)C2=O)CC(C#N)=C1
InChIInChI=1S/C24H26N4O4/c1-28-21(29)24(27-22(28)26)13-23(6-3-7-31-14-23)32-20-5-4-16(11-19(20)24)17-8-15(12-25)9-18(10-17)30-2/h4-5,9-11,17H,3,6-8,13-14H2,1-2H3,(H2,26,27)
InChIKeyGFMWASMTPMWOJO-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.47
Rot. Bonds2

About CID 163578418

CID 163578418 (PubChem CID 163578418) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol.

Molecular Properties

Compound NameCID 163578418
PubChem CID163578418
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name—
SMILESCOC1=CC(c2ccc3c(c2)C2(CC4(CCCOC4)O3)N=C(N)N(C)C2=O)CC(C#N)=C1
InChIInChI=1S/C24H26N4O4/c1-28-21(29)24(27-22(28)26)13-23(6-3-7-31-14-23)32-20-5-4-16(11-19(20)24)17-8-15(12-25)9-18(10-17)30-2/h4-5,9-11,17H,3,6-8,13-14H2,1-2H3,(H2,26,27)
InChIKeyGFMWASMTPMWOJO-UHFFFAOYSA-N
XLogP2.47
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 163578418?
The IUPAC name of CID 163578418 (CID 163578418) is not available.
What is the SMILES notation for CID 163578418?
The canonical SMILES for CID 163578418 is COC1=CC(c2ccc3c(c2)C2(CC4(CCCOC4)O3)N=C(N)N(C)C2=O)CC(C#N)=C1.
What is the InChIKey of CID 163578418?
The InChIKey is GFMWASMTPMWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-28-21(29)24(27-22(28)26)13-23(6-3-7-31-14-23)32-20-5-4-16(11-19(20)24)17-8-15(12-25)9-18(10-17)30-2/h4-5,9-11,17H,3,6-8,13-14H2,1-2H3,(H2,26,27).
What are the key properties of CID 163578418?
CID 163578418 has a molecular weight of 434.50 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163578418 is sourced from PubChem (CID 163578418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).