7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide

C17H19N3O2 — CID 13012408

IUPAC7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(C(N)=O)N=C(c1ccccc1)C2
InChIInChI=1S/C17H19N3O2/c1-17(2)9-14-12(15(21)10-17)8-13(19-20(14)16(18)22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,18,22)
InChIKeyOWHFRTHGPFRSFG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds1

About 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide

7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide (PubChem CID 13012408) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide
PubChem CID13012408
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(C(N)=O)N=C(c1ccccc1)C2
InChIInChI=1S/C17H19N3O2/c1-17(2)9-14-12(15(21)10-17)8-13(19-20(14)16(18)22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,18,22)
InChIKeyOWHFRTHGPFRSFG-UHFFFAOYSA-N
XLogP2.82
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide?
The IUPAC name of 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide (CID 13012408) is 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide.
What is the SMILES notation for 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide?
The canonical SMILES for 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide is CC1(C)CC(=O)C2=C(C1)N(C(N)=O)N=C(c1ccccc1)C2.
What is the InChIKey of 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide?
The InChIKey is OWHFRTHGPFRSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2)9-14-12(15(21)10-17)8-13(19-20(14)16(18)22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,18,22).
What are the key properties of 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide?
7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-oxo-3-phenyl-6,8-dihydro-4H-cinnoline-1-carboxamide is sourced from PubChem (CID 13012408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).