7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one

C13H16ClN3O — CID 90654325

IUPAC7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)nc2c1ccc(=O)n2CCN(C)C
InChIInChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyLIMRWMSGSLFEKB-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.92
Rot. Bonds3

About 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one

7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one (PubChem CID 90654325) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
PubChem CID90654325
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
SMILESCc1cc(Cl)nc2c1ccc(=O)n2CCN(C)C
InChIInChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyLIMRWMSGSLFEKB-UHFFFAOYSA-N
XLogP1.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one (CID 90654325) is 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one is Cc1cc(Cl)nc2c1ccc(=O)n2CCN(C)C.
What is the InChIKey of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
The InChIKey is LIMRWMSGSLFEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one?
7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one has a molecular weight of 265.74 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 90654325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).