6,8-di(propan-2-yl)-2H-cinnolin-3-one

C14H18N2O — CID 177282878

IUPAC6,8-di(propan-2-yl)-2H-cinnolin-3-one
SMILESCC(C)c1cc(C(C)C)c2n[nH]c(=O)cc2c1
InChIInChI=1S/C14H18N2O/c1-8(2)10-5-11-7-13(17)15-16-14(11)12(6-10)9(3)4/h5-9H,1-4H3,(H,15,17)
InChIKeyVIIZTIXHJVLGES-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.17
Rot. Bonds2

About 6,8-di(propan-2-yl)-2H-cinnolin-3-one

6,8-di(propan-2-yl)-2H-cinnolin-3-one (PubChem CID 177282878) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6,8-di(propan-2-yl)-2H-cinnolin-3-one.

Molecular Properties

Compound Name6,8-di(propan-2-yl)-2H-cinnolin-3-one
PubChem CID177282878
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6,8-di(propan-2-yl)-2H-cinnolin-3-one
SMILESCC(C)c1cc(C(C)C)c2n[nH]c(=O)cc2c1
InChIInChI=1S/C14H18N2O/c1-8(2)10-5-11-7-13(17)15-16-14(11)12(6-10)9(3)4/h5-9H,1-4H3,(H,15,17)
InChIKeyVIIZTIXHJVLGES-UHFFFAOYSA-N
XLogP3.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-di(propan-2-yl)-2H-cinnolin-3-one?
The IUPAC name of 6,8-di(propan-2-yl)-2H-cinnolin-3-one (CID 177282878) is 6,8-di(propan-2-yl)-2H-cinnolin-3-one.
What is the SMILES notation for 6,8-di(propan-2-yl)-2H-cinnolin-3-one?
The canonical SMILES for 6,8-di(propan-2-yl)-2H-cinnolin-3-one is CC(C)c1cc(C(C)C)c2n[nH]c(=O)cc2c1.
What is the InChIKey of 6,8-di(propan-2-yl)-2H-cinnolin-3-one?
The InChIKey is VIIZTIXHJVLGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8(2)10-5-11-7-13(17)15-16-14(11)12(6-10)9(3)4/h5-9H,1-4H3,(H,15,17).
What are the key properties of 6,8-di(propan-2-yl)-2H-cinnolin-3-one?
6,8-di(propan-2-yl)-2H-cinnolin-3-one has a molecular weight of 230.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-di(propan-2-yl)-2H-cinnolin-3-one is sourced from PubChem (CID 177282878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).