5,6,7-trimethyl-1H-1,8-naphthyridin-2-one

C11H12N2O — CID 23335375

IUPAC5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)ccc2c(C)c1C
InChIInChI=1S/C11H12N2O/c1-6-7(2)9-4-5-10(14)13-11(9)12-8(6)3/h4-5H,1-3H3,(H,12,13,14)
InChIKeyNWBIBHUGHPMSCI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.85
Rot. Bonds

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

5,6,7-trimethyl-1H-1,8-naphthyridin-2-one (PubChem CID 23335375) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
PubChem CID23335375
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5,6,7-trimethyl-1H-1,8-naphthyridin-2-one
SMILESCc1nc2[nH]c(=O)ccc2c(C)c1C
InChIInChI=1S/C11H12N2O/c1-6-7(2)9-4-5-10(14)13-11(9)12-8(6)3/h4-5H,1-3H3,(H,12,13,14)
InChIKeyNWBIBHUGHPMSCI-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one (CID 23335375) is 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one is Cc1nc2[nH]c(=O)ccc2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
The InChIKey is NWBIBHUGHPMSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-7(2)9-4-5-10(14)13-11(9)12-8(6)3/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one?
5,6,7-trimethyl-1H-1,8-naphthyridin-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 23335375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).