5-methyl-7-propyl-1H-1,6-naphthyridin-2-one

C12H14N2O — CID 19093772

IUPAC5-methyl-7-propyl-1H-1,6-naphthyridin-2-one
SMILESCCCc1cc2[nH]c(=O)ccc2c(C)n1
InChIInChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGNDSCMXBXGHCIV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.18
Rot. Bonds2

About 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one

5-methyl-7-propyl-1H-1,6-naphthyridin-2-one (PubChem CID 19093772) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-methyl-7-propyl-1H-1,6-naphthyridin-2-one
PubChem CID19093772
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-methyl-7-propyl-1H-1,6-naphthyridin-2-one
SMILESCCCc1cc2[nH]c(=O)ccc2c(C)n1
InChIInChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGNDSCMXBXGHCIV-UHFFFAOYSA-N
XLogP2.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one (CID 19093772) is 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one is CCCc1cc2[nH]c(=O)ccc2c(C)n1.
What is the InChIKey of 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one?
The InChIKey is GNDSCMXBXGHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one?
5-methyl-7-propyl-1H-1,6-naphthyridin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propyl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 19093772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).