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

C13H17ClN2O — CID 130326984

IUPAC2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
SMILESCCC1(C)C(=O)NC(C)(C)c2ccc(Cl)nc21
InChIInChI=1S/C13H17ClN2O/c1-5-13(4)10-8(6-7-9(14)15-10)12(2,3)16-11(13)17/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyMSWLKXHZWRRMBZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.77
Rot. Bonds1

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

2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one (PubChem CID 130326984) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
PubChem CID130326984
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one
SMILESCCC1(C)C(=O)NC(C)(C)c2ccc(Cl)nc21
InChIInChI=1S/C13H17ClN2O/c1-5-13(4)10-8(6-7-9(14)15-10)12(2,3)16-11(13)17/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyMSWLKXHZWRRMBZ-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one?
The IUPAC name of 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one (CID 130326984) is 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one is CCC1(C)C(=O)NC(C)(C)c2ccc(Cl)nc21.
What is the InChIKey of 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one?
The InChIKey is MSWLKXHZWRRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-5-13(4)10-8(6-7-9(14)15-10)12(2,3)16-11(13)17/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one?
2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one has a molecular weight of 252.74 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-ethyl-5,5,8-trimethyl-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 130326984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).