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

C12H14N2O — CID 177147413

IUPAC4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one
SMILESCc1ccnc2cc(C(C)C)[nH]c(=O)c12
InChIInChI=1S/C12H14N2O/c1-7(2)9-6-10-11(12(15)14-9)8(3)4-5-13-10/h4-7H,1-3H3,(H,14,15)
InChIKeyKUCIRALWXWNLQV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.35
Rot. Bonds1

About 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one

4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one (PubChem CID 177147413) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one
PubChem CID177147413
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one
SMILESCc1ccnc2cc(C(C)C)[nH]c(=O)c12
InChIInChI=1S/C12H14N2O/c1-7(2)9-6-10-11(12(15)14-9)8(3)4-5-13-10/h4-7H,1-3H3,(H,14,15)
InChIKeyKUCIRALWXWNLQV-UHFFFAOYSA-N
XLogP2.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one (CID 177147413) is 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one is Cc1ccnc2cc(C(C)C)[nH]c(=O)c12.
What is the InChIKey of 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one?
The InChIKey is KUCIRALWXWNLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7(2)9-6-10-11(12(15)14-9)8(3)4-5-13-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one?
4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one has a molecular weight of 202.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-yl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 177147413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).