3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C26H23ClN4O3 — CID 26141715

IUPAC3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCc1cc(C(=O)N2CCc3c(cc(-c4ccccc4Cl)c(=O)n3Cc3ccncc3)C2)no1
InChIInChI=1S/C26H23ClN4O3/c1-2-19-14-23(29-34-19)26(33)30-12-9-24-18(16-30)13-21(20-5-3-4-6-22(20)27)25(32)31(24)15-17-7-10-28-11-8-17/h3-8,10-11,13-14H,2,9,12,15-16H2,1H3
InChIKeyAWNQDZXYPIGZNK-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26141715) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26141715
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCc1cc(C(=O)N2CCc3c(cc(-c4ccccc4Cl)c(=O)n3Cc3ccncc3)C2)no1
InChIInChI=1S/C26H23ClN4O3/c1-2-19-14-23(29-34-19)26(33)30-12-9-24-18(16-30)13-21(20-5-3-4-6-22(20)27)25(32)31(24)15-17-7-10-28-11-8-17/h3-8,10-11,13-14H,2,9,12,15-16H2,1H3
InChIKeyAWNQDZXYPIGZNK-UHFFFAOYSA-N
XLogP4.36
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26141715) is 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCc1cc(C(=O)N2CCc3c(cc(-c4ccccc4Cl)c(=O)n3Cc3ccncc3)C2)no1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is AWNQDZXYPIGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-2-19-14-23(29-34-19)26(33)30-12-9-24-18(16-30)13-21(20-5-3-4-6-22(20)27)25(32)31(24)15-17-7-10-28-11-8-17/h3-8,10-11,13-14H,2,9,12,15-16H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 474.95 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(5-ethyl-1,2-oxazole-3-carbonyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26141715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).