CID 58197158

C30H34N4O2 — CID 58197158

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21N=C(N)N(Cc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C30H34N4O2/c1-36-25-12-14-29(15-13-25)17-24-11-10-21(5-4-20-2-3-20)16-26(24)30(29)27(35)34(28(32)33-30)19-23-8-6-22(18-31)7-9-23/h6-11,16,20,25H,2-5,12-15,17,19H2,1H3,(H2,32,33)
InChIKeyFEASUUSJHPORHM-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.58
Rot. Bonds6

About CID 58197158

CID 58197158 (PubChem CID 58197158) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol.

Molecular Properties

Compound NameCID 58197158
PubChem CID58197158
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21N=C(N)N(Cc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C30H34N4O2/c1-36-25-12-14-29(15-13-25)17-24-11-10-21(5-4-20-2-3-20)16-26(24)30(29)27(35)34(28(32)33-30)19-23-8-6-22(18-31)7-9-23/h6-11,16,20,25H,2-5,12-15,17,19H2,1H3,(H2,32,33)
InChIKeyFEASUUSJHPORHM-UHFFFAOYSA-N
XLogP4.58
TPSA91.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 58197158?
The IUPAC name of CID 58197158 (CID 58197158) is not available.
What is the SMILES notation for CID 58197158?
The canonical SMILES for CID 58197158 is COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21N=C(N)N(Cc2ccc(C#N)cc2)C1=O.
What is the InChIKey of CID 58197158?
The InChIKey is FEASUUSJHPORHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-36-25-12-14-29(15-13-25)17-24-11-10-21(5-4-20-2-3-20)16-26(24)30(29)27(35)34(28(32)33-30)19-23-8-6-22(18-31)7-9-23/h6-11,16,20,25H,2-5,12-15,17,19H2,1H3,(H2,32,33).
What are the key properties of CID 58197158?
CID 58197158 has a molecular weight of 482.63 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197158 is sourced from PubChem (CID 58197158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).