1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one

C12H15N3O2 — CID 145350680

IUPAC1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(CCCN)c2n1
InChIInChI=1S/C12H15N3O2/c1-17-10-5-3-9-4-6-11(16)15(8-2-7-13)12(9)14-10/h3-6H,2,7-8,13H2,1H3
InChIKeyVVCJKXHAJRGQCT-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.75
Rot. Bonds4

About 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one

1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one (PubChem CID 145350680) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one
PubChem CID145350680
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(CCCN)c2n1
InChIInChI=1S/C12H15N3O2/c1-17-10-5-3-9-4-6-11(16)15(8-2-7-13)12(9)14-10/h3-6H,2,7-8,13H2,1H3
InChIKeyVVCJKXHAJRGQCT-UHFFFAOYSA-N
XLogP0.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one (CID 145350680) is 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one is COc1ccc2ccc(=O)n(CCCN)c2n1.
What is the InChIKey of 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one?
The InChIKey is VVCJKXHAJRGQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-10-5-3-9-4-6-11(16)15(8-2-7-13)12(9)14-10/h3-6H,2,7-8,13H2,1H3.
What are the key properties of 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one?
1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-7-methoxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 145350680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).