5-propan-2-yl-7H-1,6-naphthyridin-8-one

C11H12N2O — CID 134285631

IUPAC5-propan-2-yl-7H-1,6-naphthyridin-8-one
SMILESCC(C)C1=NCC(=O)c2ncccc21
InChIInChI=1S/C11H12N2O/c1-7(2)10-8-4-3-5-12-11(8)9(14)6-13-10/h3-5,7H,6H2,1-2H3
InChIKeyVZMYUUBIUZETDU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.72
Rot. Bonds1

About 5-propan-2-yl-7H-1,6-naphthyridin-8-one

5-propan-2-yl-7H-1,6-naphthyridin-8-one (PubChem CID 134285631) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-propan-2-yl-7H-1,6-naphthyridin-8-one.

Molecular Properties

Compound Name5-propan-2-yl-7H-1,6-naphthyridin-8-one
PubChem CID134285631
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-propan-2-yl-7H-1,6-naphthyridin-8-one
SMILESCC(C)C1=NCC(=O)c2ncccc21
InChIInChI=1S/C11H12N2O/c1-7(2)10-8-4-3-5-12-11(8)9(14)6-13-10/h3-5,7H,6H2,1-2H3
InChIKeyVZMYUUBIUZETDU-UHFFFAOYSA-N
XLogP1.72
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7H-1,6-naphthyridin-8-one?
The IUPAC name of 5-propan-2-yl-7H-1,6-naphthyridin-8-one (CID 134285631) is 5-propan-2-yl-7H-1,6-naphthyridin-8-one.
What is the SMILES notation for 5-propan-2-yl-7H-1,6-naphthyridin-8-one?
The canonical SMILES for 5-propan-2-yl-7H-1,6-naphthyridin-8-one is CC(C)C1=NCC(=O)c2ncccc21.
What is the InChIKey of 5-propan-2-yl-7H-1,6-naphthyridin-8-one?
The InChIKey is VZMYUUBIUZETDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)10-8-4-3-5-12-11(8)9(14)6-13-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-7H-1,6-naphthyridin-8-one?
5-propan-2-yl-7H-1,6-naphthyridin-8-one has a molecular weight of 188.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7H-1,6-naphthyridin-8-one is sourced from PubChem (CID 134285631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).