6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C20H20N4O2 — CID 135710995

IUPAC6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESC=C(C)c1nnc(-c2cc3c([nH]c2=O)CCN(Cc2ccccc2)C3)o1
InChIInChI=1S/C20H20N4O2/c1-13(2)19-22-23-20(26-19)16-10-15-12-24(9-8-17(15)21-18(16)25)11-14-6-4-3-5-7-14/h3-7,10H,1,8-9,11-12H2,2H3,(H,21,25)
InChIKeyQKVNBRAUJJMAML-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds4

About 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 135710995) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID135710995
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESC=C(C)c1nnc(-c2cc3c([nH]c2=O)CCN(Cc2ccccc2)C3)o1
InChIInChI=1S/C20H20N4O2/c1-13(2)19-22-23-20(26-19)16-10-15-12-24(9-8-17(15)21-18(16)25)11-14-6-4-3-5-7-14/h3-7,10H,1,8-9,11-12H2,2H3,(H,21,25)
InChIKeyQKVNBRAUJJMAML-UHFFFAOYSA-N
XLogP3.02
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 135710995) is 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is C=C(C)c1nnc(-c2cc3c([nH]c2=O)CCN(Cc2ccccc2)C3)o1.
What is the InChIKey of 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is QKVNBRAUJJMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(2)19-22-23-20(26-19)16-10-15-12-24(9-8-17(15)21-18(16)25)11-14-6-4-3-5-7-14/h3-7,10H,1,8-9,11-12H2,2H3,(H,21,25).
What are the key properties of 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(5-prop-1-en-2-yl-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 135710995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).