1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one

C17H19N3O — CID 118524161

IUPAC1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESCC1CCC(n2ccc(=O)c3cnc4[nH]ccc4c32)CC1
InChIInChI=1S/C17H19N3O/c1-11-2-4-12(5-3-11)20-9-7-15(21)14-10-19-17-13(16(14)20)6-8-18-17/h6-12H,2-5H2,1H3,(H,18,19)
InChIKeyDJDZRWASZKDCAW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.63
Rot. Bonds1

About 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one

1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one (PubChem CID 118524161) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
PubChem CID118524161
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESCC1CCC(n2ccc(=O)c3cnc4[nH]ccc4c32)CC1
InChIInChI=1S/C17H19N3O/c1-11-2-4-12(5-3-11)20-9-7-15(21)14-10-19-17-13(16(14)20)6-8-18-17/h6-12H,2-5H2,1H3,(H,18,19)
InChIKeyDJDZRWASZKDCAW-UHFFFAOYSA-N
XLogP3.63
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 71264306
3-(3-methylcyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 59291864
[1-(4-methylcyclohexyl)-4-oxopyrrolo[2,3-h][1,6]naphthyridin-7-yl] thiohypofluorite;2,2,2-trifluoroethanol
CID 144959805
9-cyclohexyl-1H-imidazo[4,5-h][1,6]naphthyridin-3-ium-6-one
CID 123836743
3-(2-methoxycyclohexyl)-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 59292049
N-propan-2-yl-4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexane-1-carboxamide
CID 58395435
3-[(1S,2R)-2-methylcyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 15953425
1-cyclohexyl-2-(2-trimethylsilylethoxymethyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
CID 172801143
3-(1-cyclopropylsulfonylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395032
N-[4-(12-oxo-5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10-pentaen-13-yl)cyclohexyl]acetamide
CID 57406279
4-(4-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)cyclohexane-1-carboxylic acid
CID 58394983
4-[4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-h][1,6]naphthyridin-1-yl]cyclohexane-1-carbaldehyde
CID 140773218

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The IUPAC name of 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one (CID 118524161) is 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one.
What is the SMILES notation for 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The canonical SMILES for 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one is CC1CCC(n2ccc(=O)c3cnc4[nH]ccc4c32)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The InChIKey is DJDZRWASZKDCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-2-4-12(5-3-11)20-9-7-15(21)14-10-19-17-13(16(14)20)6-8-18-17/h6-12H,2-5H2,1H3,(H,18,19).
What are the key properties of 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one has a molecular weight of 281.36 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one is sourced from PubChem (CID 118524161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).