4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile

C24H17N3O3 — CID 54676189

IUPAC4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile
SMILESN#Cc1ccc(CCC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H17N3O3/c25-15-17-10-8-16(9-11-17)12-13-20(28)21-22(29)19-7-4-14-26-23(19)27(24(21)30)18-5-2-1-3-6-18/h1-11,14,29H,12-13H2
InChIKeyBAIUXCVMOMTCQK-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.78
Rot. Bonds5

About 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile

4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile (PubChem CID 54676189) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile
PubChem CID54676189
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile
SMILESN#Cc1ccc(CCC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C24H17N3O3/c25-15-17-10-8-16(9-11-17)12-13-20(28)21-22(29)19-7-4-14-26-23(19)27(24(21)30)18-5-2-1-3-6-18/h1-11,14,29H,12-13H2
InChIKeyBAIUXCVMOMTCQK-UHFFFAOYSA-N
XLogP3.78
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile?
The IUPAC name of 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile (CID 54676189) is 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile.
What is the SMILES notation for 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile?
The canonical SMILES for 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile is N#Cc1ccc(CCC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile?
The InChIKey is BAIUXCVMOMTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c25-15-17-10-8-16(9-11-17)12-13-20(28)21-22(29)19-7-4-14-26-23(19)27(24(21)30)18-5-2-1-3-6-18/h1-11,14,29H,12-13H2.
What are the key properties of 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile?
4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile has a molecular weight of 395.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridin-3-yl)-3-oxopropyl]benzonitrile is sourced from PubChem (CID 54676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).