4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one

C18H20N4O — CID 166383100

IUPAC4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one
SMILESCC(CNc1cc(=O)[nH]c2ncccc12)N(C)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-13(22(2)14-7-4-3-5-8-14)12-20-16-11-17(23)21-18-15(16)9-6-10-19-18/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyQEFMRBQJZCHCTJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.86
Rot. Bonds5

About 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one

4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one (PubChem CID 166383100) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one
PubChem CID166383100
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one
SMILESCC(CNc1cc(=O)[nH]c2ncccc12)N(C)c1ccccc1
InChIInChI=1S/C18H20N4O/c1-13(22(2)14-7-4-3-5-8-14)12-20-16-11-17(23)21-18-15(16)9-6-10-19-18/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23)
InChIKeyQEFMRBQJZCHCTJ-UHFFFAOYSA-N
XLogP2.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one (CID 166383100) is 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one is CC(CNc1cc(=O)[nH]c2ncccc12)N(C)c1ccccc1.
What is the InChIKey of 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one?
The InChIKey is QEFMRBQJZCHCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(22(2)14-7-4-3-5-8-14)12-20-16-11-17(23)21-18-15(16)9-6-10-19-18/h3-11,13H,12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one?
4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(N-methylanilino)propylamino]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 166383100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).