CID 58197521

C18H22N4O2 — CID 58197521

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C#N)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C18H22N4O2/c1-22-16(20)21-18(24-22)15-9-12(11-19)3-4-13(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21)
InChIKeyAOZVUBOFLFKDDG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.03
Rot. Bonds1

About CID 58197521

CID 58197521 (PubChem CID 58197521) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol.

Molecular Properties

Compound NameCID 58197521
PubChem CID58197521
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C#N)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C18H22N4O2/c1-22-16(20)21-18(24-22)15-9-12(11-19)3-4-13(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21)
InChIKeyAOZVUBOFLFKDDG-UHFFFAOYSA-N
XLogP2.03
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58197521?
The IUPAC name of CID 58197521 (CID 58197521) is not available.
What is the SMILES notation for CID 58197521?
The canonical SMILES for CID 58197521 is COC1CCC2(CC1)Cc1ccc(C#N)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197521?
The InChIKey is AOZVUBOFLFKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22-16(20)21-18(24-22)15-9-12(11-19)3-4-13(15)10-17(18)7-5-14(23-2)6-8-17/h3-4,9,14H,5-8,10H2,1-2H3,(H2,20,21).
What are the key properties of CID 58197521?
CID 58197521 has a molecular weight of 326.40 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197521 is sourced from PubChem (CID 58197521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).