4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one

C27H26N2O3 — CID 68947735

IUPAC4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one
SMILESO=C(CCCCCCc1ccccc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C27H26N2O3/c30-23(18-10-2-1-5-12-20-13-6-3-7-14-20)24-25(31)22-17-11-19-28-26(22)29(27(24)32)21-15-8-4-9-16-21/h3-4,6-9,11,13-17,19,31H,1-2,5,10,12,18H2
InChIKeyXDLVPVMVAOWPCD-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.47
Rot. Bonds9

About 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one

4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one (PubChem CID 68947735) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one
PubChem CID68947735
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one
SMILESO=C(CCCCCCc1ccccc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C27H26N2O3/c30-23(18-10-2-1-5-12-20-13-6-3-7-14-20)24-25(31)22-17-11-19-28-26(22)29(27(24)32)21-15-8-4-9-16-21/h3-4,6-9,11,13-17,19,31H,1-2,5,10,12,18H2
InChIKeyXDLVPVMVAOWPCD-UHFFFAOYSA-N
XLogP5.47
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one (CID 68947735) is 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one is O=C(CCCCCCc1ccccc1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one?
The InChIKey is XDLVPVMVAOWPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-23(18-10-2-1-5-12-20-13-6-3-7-14-20)24-25(31)22-17-11-19-28-26(22)29(27(24)32)21-15-8-4-9-16-21/h3-4,6-9,11,13-17,19,31H,1-2,5,10,12,18H2.
What are the key properties of 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one?
4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one has a molecular weight of 426.52 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 68947735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).