CID 58424819

C24H27N3O5 — CID 58424819

IUPAC—
SMILESCOc1cc(OC)cc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C24H27N3O5/c1-27-21(28)24(26-22(27)25)13-23(7-4-8-31-14-23)32-20-6-5-15(11-19(20)24)16-9-17(29-2)12-18(10-16)30-3/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H2,25,26)/t23-,24+/m1/s1
InChIKeyFXXCNNKCFHTSGL-RPWUZVMVSA-N
MW437.50 g/mol
LogP2.68
Rot. Bonds3

About CID 58424819

CID 58424819 (PubChem CID 58424819) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol.

Molecular Properties

Compound NameCID 58424819
PubChem CID58424819
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name—
SMILESCOc1cc(OC)cc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C24H27N3O5/c1-27-21(28)24(26-22(27)25)13-23(7-4-8-31-14-23)32-20-6-5-15(11-19(20)24)16-9-17(29-2)12-18(10-16)30-3/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H2,25,26)/t23-,24+/m1/s1
InChIKeyFXXCNNKCFHTSGL-RPWUZVMVSA-N
XLogP2.68
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 58424819?
The IUPAC name of CID 58424819 (CID 58424819) is not available.
What is the SMILES notation for CID 58424819?
The canonical SMILES for CID 58424819 is COc1cc(OC)cc(-c2ccc3c(c2)[C@]2(C[C@@]4(CCCOC4)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of CID 58424819?
The InChIKey is FXXCNNKCFHTSGL-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-27-21(28)24(26-22(27)25)13-23(7-4-8-31-14-23)32-20-6-5-15(11-19(20)24)16-9-17(29-2)12-18(10-16)30-3/h5-6,9-12H,4,7-8,13-14H2,1-3H3,(H2,25,26)/t23-,24+/m1/s1.
What are the key properties of CID 58424819?
CID 58424819 has a molecular weight of 437.50 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424819 is sourced from PubChem (CID 58424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).