CID 58198056

C24H27N3O4 — CID 58198056

IUPAC—
SMILESCOc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)O3)c1
InChIInChI=1S/C24H27N3O4/c1-27-21(28)24(26-22(27)25)19-14-16(15-5-4-6-18(13-15)30-3)7-8-20(19)31-23(24)11-9-17(29-2)10-12-23/h4-8,13-14,17H,9-12H2,1-3H3,(H2,25,26)
InChIKeyOIMLFGYFYXBVIR-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.06
Rot. Bonds3

About CID 58198056

CID 58198056 (PubChem CID 58198056) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol.

Molecular Properties

Compound NameCID 58198056
PubChem CID58198056
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name—
SMILESCOc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)O3)c1
InChIInChI=1S/C24H27N3O4/c1-27-21(28)24(26-22(27)25)19-14-16(15-5-4-6-18(13-15)30-3)7-8-20(19)31-23(24)11-9-17(29-2)10-12-23/h4-8,13-14,17H,9-12H2,1-3H3,(H2,25,26)
InChIKeyOIMLFGYFYXBVIR-UHFFFAOYSA-N
XLogP3.06
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58198056?
The IUPAC name of CID 58198056 (CID 58198056) is not available.
What is the SMILES notation for CID 58198056?
The canonical SMILES for CID 58198056 is COc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)O3)c1.
What is the InChIKey of CID 58198056?
The InChIKey is OIMLFGYFYXBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-27-21(28)24(26-22(27)25)19-14-16(15-5-4-6-18(13-15)30-3)7-8-20(19)31-23(24)11-9-17(29-2)10-12-23/h4-8,13-14,17H,9-12H2,1-3H3,(H2,25,26).
What are the key properties of CID 58198056?
CID 58198056 has a molecular weight of 421.50 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58198056 is sourced from PubChem (CID 58198056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).