1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one

C20H19N5O3 — CID 171351365

IUPAC1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2nnc(Nc3ccc(OC)cc3)o2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N5O3/c1-4-25-11-16(17(26)15-10-5-12(2)21-18(15)25)19-23-24-20(28-19)22-13-6-8-14(27-3)9-7-13/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyJDBUVPMYMOZQNO-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.53
Rot. Bonds5

About 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one

1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 171351365) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID171351365
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(-c2nnc(Nc3ccc(OC)cc3)o2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H19N5O3/c1-4-25-11-16(17(26)15-10-5-12(2)21-18(15)25)19-23-24-20(28-19)22-13-6-8-14(27-3)9-7-13/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyJDBUVPMYMOZQNO-UHFFFAOYSA-N
XLogP3.53
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one (CID 171351365) is 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one is CCn1cc(-c2nnc(Nc3ccc(OC)cc3)o2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is JDBUVPMYMOZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-4-25-11-16(17(26)15-10-5-12(2)21-18(15)25)19-23-24-20(28-19)22-13-6-8-14(27-3)9-7-13/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one?
1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 377.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(4-methoxyanilino)-1,3,4-oxadiazol-2-yl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 171351365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).