3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C16H24N4O — CID 12868398

IUPAC3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(NCCCC(C)N)c(=O)c2ccc(C)nc21
InChIInChI=1S/C16H24N4O/c1-4-20-10-14(18-9-5-6-11(2)17)15(21)13-8-7-12(3)19-16(13)20/h7-8,10-11,18H,4-6,9,17H2,1-3H3
InChIKeyUQXWZLINGDNYFF-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.26
Rot. Bonds6

About 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 12868398) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID12868398
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(NCCCC(C)N)c(=O)c2ccc(C)nc21
InChIInChI=1S/C16H24N4O/c1-4-20-10-14(18-9-5-6-11(2)17)15(21)13-8-7-12(3)19-16(13)20/h7-8,10-11,18H,4-6,9,17H2,1-3H3
InChIKeyUQXWZLINGDNYFF-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 12868398) is 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(NCCCC(C)N)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is UQXWZLINGDNYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20-10-14(18-9-5-6-11(2)17)15(21)13-8-7-12(3)19-16(13)20/h7-8,10-11,18H,4-6,9,17H2,1-3H3.
What are the key properties of 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 288.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 12868398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).