3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one

C17H13N3O2 — CID 19900439

IUPAC3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one
SMILESCc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1
InChIInChI=1S/C17H13N3O2/c1-10-6-7-11-8-9-14(19-15(11)18-10)20-16(21)12-4-2-3-5-13(12)17(20)22/h2-9,16,21H,1H3
InChIKeyRBRXXRAIVAAGGH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.59
Rot. Bonds1

About 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one

3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one (PubChem CID 19900439) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one
PubChem CID19900439
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one
SMILESCc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1
InChIInChI=1S/C17H13N3O2/c1-10-6-7-11-8-9-14(19-15(11)18-10)20-16(21)12-4-2-3-5-13(12)17(20)22/h2-9,16,21H,1H3
InChIKeyRBRXXRAIVAAGGH-UHFFFAOYSA-N
XLogP2.59
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one (CID 19900439) is 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one is Cc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1.
What is the InChIKey of 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one?
The InChIKey is RBRXXRAIVAAGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-6-7-11-8-9-14(19-15(11)18-10)20-16(21)12-4-2-3-5-13(12)17(20)22/h2-9,16,21H,1H3.
What are the key properties of 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one?
3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one has a molecular weight of 291.31 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(7-methyl-1,8-naphthyridin-2-yl)-3H-isoindol-1-one is sourced from PubChem (CID 19900439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).