carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride

C21H35FN2OV — CID 159674442

IUPACcarbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride
SMILESC.CC.CC.Cc1ccc2ncc3ccc(=O)n(C)c3c2c1.F.[CH3-].[CH3-].[V+2]
InChIInChI=1S/C14H12N2O.2C2H6.CH4.2CH3.FH.V/c1-9-3-5-12-11(7-9)14-10(8-15-12)4-6-13(17)16(14)2;2*1-2;;;;;/h3-8H,1-2H3;2*1-2H3;1H4;2*1H3;1H;/q;;;;2*-1;;+2
InChIKeyMUKKWRWNUHCHJI-UHFFFAOYSA-N
MW401.47 g/mol
LogP6.13
Rot. Bonds

About carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride

carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride (PubChem CID 159674442) has the molecular formula C21H35FN2OV and a molecular weight of 401.47 g/mol. Its IUPAC name is carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride.

Molecular Properties

Compound Namecarbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride
PubChem CID159674442
Molecular FormulaC21H35FN2OV
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC Namecarbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride
SMILESC.CC.CC.Cc1ccc2ncc3ccc(=O)n(C)c3c2c1.F.[CH3-].[CH3-].[V+2]
InChIInChI=1S/C14H12N2O.2C2H6.CH4.2CH3.FH.V/c1-9-3-5-12-11(7-9)14-10(8-15-12)4-6-13(17)16(14)2;2*1-2;;;;;/h3-8H,1-2H3;2*1-2H3;1H4;2*1H3;1H;/q;;;;2*-1;;+2
InChIKeyMUKKWRWNUHCHJI-UHFFFAOYSA-N
XLogP6.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride?
The IUPAC name of carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride (CID 159674442) is carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride.
What is the SMILES notation for carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride?
The canonical SMILES for carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride is C.CC.CC.Cc1ccc2ncc3ccc(=O)n(C)c3c2c1.F.[CH3-].[CH3-].[V+2].
What is the InChIKey of carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride?
The InChIKey is MUKKWRWNUHCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.2C2H6.CH4.2CH3.FH.V/c1-9-3-5-12-11(7-9)14-10(8-15-12)4-6-13(17)16(14)2;2*1-2;;;;;/h3-8H,1-2H3;2*1-2H3;1H4;2*1H3;1H;/q;;;;2*-1;;+2.
What are the key properties of carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride?
carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride has a molecular weight of 401.47 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,9-dimethylbenzo[h][1,6]naphthyridin-2-one;ethane;methane;vanadium(2+);hydrofluoride is sourced from PubChem (CID 159674442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).