2,4,4-trimethyl-1H-2,7-naphthyridin-3-one

C11H14N2O — CID 21300141

IUPAC2,4,4-trimethyl-1H-2,7-naphthyridin-3-one
SMILESCN1Cc2cnccc2C(C)(C)C1=O
InChIInChI=1S/C11H14N2O/c1-11(2)9-4-5-12-6-8(9)7-13(3)10(11)14/h4-6H,7H2,1-3H3
InChIKeyIBVACLPYSZCGFT-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds

About 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one

2,4,4-trimethyl-1H-2,7-naphthyridin-3-one (PubChem CID 21300141) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name2,4,4-trimethyl-1H-2,7-naphthyridin-3-one
PubChem CID21300141
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,4,4-trimethyl-1H-2,7-naphthyridin-3-one
SMILESCN1Cc2cnccc2C(C)(C)C1=O
InChIInChI=1S/C11H14N2O/c1-11(2)9-4-5-12-6-8(9)7-13(3)10(11)14/h4-6H,7H2,1-3H3
InChIKeyIBVACLPYSZCGFT-UHFFFAOYSA-N
XLogP1.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one?
The IUPAC name of 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one (CID 21300141) is 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one.
What is the SMILES notation for 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one?
The canonical SMILES for 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one is CN1Cc2cnccc2C(C)(C)C1=O.
What is the InChIKey of 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one?
The InChIKey is IBVACLPYSZCGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2)9-4-5-12-6-8(9)7-13(3)10(11)14/h4-6H,7H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one?
2,4,4-trimethyl-1H-2,7-naphthyridin-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1H-2,7-naphthyridin-3-one is sourced from PubChem (CID 21300141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).