4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one

C13H16N2O — CID 165472389

IUPAC4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one
SMILESCc1cc(=O)[nH]c2nc(CC(C)C)ccc12
InChIInChI=1S/C13H16N2O/c1-8(2)6-10-4-5-11-9(3)7-12(16)15-13(11)14-10/h4-5,7-8H,6H2,1-3H3,(H,14,15,16)
InChIKeyQSSHWUSWVOIJDC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one

4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one (PubChem CID 165472389) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one
PubChem CID165472389
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one
SMILESCc1cc(=O)[nH]c2nc(CC(C)C)ccc12
InChIInChI=1S/C13H16N2O/c1-8(2)6-10-4-5-11-9(3)7-12(16)15-13(11)14-10/h4-5,7-8H,6H2,1-3H3,(H,14,15,16)
InChIKeyQSSHWUSWVOIJDC-UHFFFAOYSA-N
XLogP2.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one (CID 165472389) is 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one is Cc1cc(=O)[nH]c2nc(CC(C)C)ccc12.
What is the InChIKey of 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is QSSHWUSWVOIJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)6-10-4-5-11-9(3)7-12(16)15-13(11)14-10/h4-5,7-8H,6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one?
4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 165472389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).