1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride

C14H20ClN3O — CID 23335414

IUPAC1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride
SMILESCc1cc(C)c2ccc(=O)n(CCCCN)c2n1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-10-9-11(2)16-14-12(10)5-6-13(18)17(14)8-4-3-7-15;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H
InChIKeyQZFHXDWLXJZJDJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride

1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride (PubChem CID 23335414) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride
PubChem CID23335414
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride
SMILESCc1cc(C)c2ccc(=O)n(CCCCN)c2n1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-10-9-11(2)16-14-12(10)5-6-13(18)17(14)8-4-3-7-15;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H
InChIKeyQZFHXDWLXJZJDJ-UHFFFAOYSA-N
XLogP2.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride?
The IUPAC name of 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride (CID 23335414) is 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride is Cc1cc(C)c2ccc(=O)n(CCCCN)c2n1.Cl.
What is the InChIKey of 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride?
The InChIKey is QZFHXDWLXJZJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-10-9-11(2)16-14-12(10)5-6-13(18)17(14)8-4-3-7-15;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H.
What are the key properties of 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride?
1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-5,7-dimethyl-1,8-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 23335414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).