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

C17H19N3O2 — CID 71264306

IUPAC1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESCOC1CCC(n2ccc(=O)c3cnc4[nH]ccc4c32)CC1
InChIInChI=1S/C17H19N3O2/c1-22-12-4-2-11(3-5-12)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)
InChIKeySFQBQEUYLOQGPQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.01
Rot. Bonds2

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

1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one (PubChem CID 71264306) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
PubChem CID71264306
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one
SMILESCOC1CCC(n2ccc(=O)c3cnc4[nH]ccc4c32)CC1
InChIInChI=1S/C17H19N3O2/c1-22-12-4-2-11(3-5-12)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)
InChIKeySFQBQEUYLOQGPQ-UHFFFAOYSA-N
XLogP3.01
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The IUPAC name of 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one (CID 71264306) is 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one.
What is the SMILES notation for 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The canonical SMILES for 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one is COC1CCC(n2ccc(=O)c3cnc4[nH]ccc4c32)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
The InChIKey is SFQBQEUYLOQGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-12-4-2-11(3-5-12)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-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one?
1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one has a molecular weight of 297.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)-7H-pyrrolo[2,3-h][1,6]naphthyridin-4-one is sourced from PubChem (CID 71264306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).