1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one

C15H21N3O — CID 90654317

IUPAC1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)c1ccc2ccc(=O)n(CCN(C)C)c2n1
InChIInChI=1S/C15H21N3O/c1-11(2)13-7-5-12-6-8-14(19)18(15(12)16-13)10-9-17(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyIMOXZAHBEVJCKQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one

1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one (PubChem CID 90654317) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one
PubChem CID90654317
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)c1ccc2ccc(=O)n(CCN(C)C)c2n1
InChIInChI=1S/C15H21N3O/c1-11(2)13-7-5-12-6-8-14(19)18(15(12)16-13)10-9-17(3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyIMOXZAHBEVJCKQ-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one (CID 90654317) is 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one is CC(C)c1ccc2ccc(=O)n(CCN(C)C)c2n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one?
The InChIKey is IMOXZAHBEVJCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)13-7-5-12-6-8-14(19)18(15(12)16-13)10-9-17(3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one?
1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-7-propan-2-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 90654317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).