CID 58197330

C25H31N3O3 — CID 58197330

IUPAC—
SMILESCCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C25H31N3O3/c1-4-30-20-10-12-24(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)29-3)15-22(19)25(24)27-23(26)28(2)31-25/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,26,27)
InChIKeyQAEMRDPFYVFBTI-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.23
Rot. Bonds4

About CID 58197330

CID 58197330 (PubChem CID 58197330) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol.

Molecular Properties

Compound NameCID 58197330
PubChem CID58197330
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name—
SMILESCCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C25H31N3O3/c1-4-30-20-10-12-24(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)29-3)15-22(19)25(24)27-23(26)28(2)31-25/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,26,27)
InChIKeyQAEMRDPFYVFBTI-UHFFFAOYSA-N
XLogP4.23
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58197330?
The IUPAC name of CID 58197330 (CID 58197330) is not available.
What is the SMILES notation for CID 58197330?
The canonical SMILES for CID 58197330 is CCOC1CCC2(CC1)Cc1ccc(-c3cccc(OC)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197330?
The InChIKey is QAEMRDPFYVFBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-30-20-10-12-24(13-11-20)16-19-9-8-18(17-6-5-7-21(14-17)29-3)15-22(19)25(24)27-23(26)28(2)31-25/h5-9,14-15,20H,4,10-13,16H2,1-3H3,(H2,26,27).
What are the key properties of CID 58197330?
CID 58197330 has a molecular weight of 421.54 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197330 is sourced from PubChem (CID 58197330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).