1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one

C16H23N3O — CID 23335394

IUPAC1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCCCN(C)C)c2n1
InChIInChI=1S/C16H23N3O/c1-12-11-13(2)17-16-14(12)7-8-15(20)19(16)10-6-5-9-18(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyBLDTVOQTFSAVNK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.36
Rot. Bonds5

About 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one

1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one (PubChem CID 23335394) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one
PubChem CID23335394
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one
SMILESCc1cc(C)c2ccc(=O)n(CCCCN(C)C)c2n1
InChIInChI=1S/C16H23N3O/c1-12-11-13(2)17-16-14(12)7-8-15(20)19(16)10-6-5-9-18(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyBLDTVOQTFSAVNK-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one (CID 23335394) is 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one is Cc1cc(C)c2ccc(=O)n(CCCCN(C)C)c2n1.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
The InChIKey is BLDTVOQTFSAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-11-13(2)17-16-14(12)7-8-15(20)19(16)10-6-5-9-18(3)4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one?
1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-5,7-dimethyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 23335394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).