3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one

C17H16N2O — CID 14781002

IUPAC3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
SMILESCc1ccc2c(c1)CCN1C(=O)c3cccnc3CC21
InChIInChI=1S/C17H16N2O/c1-11-4-5-13-12(9-11)6-8-19-16(13)10-15-14(17(19)20)3-2-7-18-15/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyYNUUFLGUDKGVBX-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.69
Rot. Bonds

About 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one

3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one (PubChem CID 14781002) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
PubChem CID14781002
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
SMILESCc1ccc2c(c1)CCN1C(=O)c3cccnc3CC21
InChIInChI=1S/C17H16N2O/c1-11-4-5-13-12(9-11)6-8-19-16(13)10-15-14(17(19)20)3-2-7-18-15/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyYNUUFLGUDKGVBX-UHFFFAOYSA-N
XLogP2.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The IUPAC name of 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one (CID 14781002) is 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one.
What is the SMILES notation for 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The canonical SMILES for 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one is Cc1ccc2c(c1)CCN1C(=O)c3cccnc3CC21.
What is the InChIKey of 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The InChIKey is YNUUFLGUDKGVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-4-5-13-12(9-11)6-8-19-16(13)10-15-14(17(19)20)3-2-7-18-15/h2-5,7,9,16H,6,8,10H2,1H3.
What are the key properties of 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one has a molecular weight of 264.33 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,13,13a-tetrahydroisoquinolino[2,1-g][1,6]naphthyridin-8-one is sourced from PubChem (CID 14781002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).