N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

C27H24N2O5 — CID 2331793

IUPACN-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C27H24N2O5/c1-16(30)17-8-7-9-19(12-17)28-27(31)21-15-23(29-22-11-6-5-10-20(21)22)18-13-24(32-2)26(34-4)25(14-18)33-3/h5-15H,1-4H3,(H,28,31)
InChIKeyRICFUAMDKSPOKF-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.38
Rot. Bonds7

About N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2331793) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
PubChem CID2331793
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC NameN-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C27H24N2O5/c1-16(30)17-8-7-9-19(12-17)28-27(31)21-15-23(29-22-11-6-5-10-20(21)22)18-13-24(32-2)26(34-4)25(14-18)33-3/h5-15H,1-4H3,(H,28,31)
InChIKeyRICFUAMDKSPOKF-UHFFFAOYSA-N
XLogP5.38
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide (CID 2331793) is N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is COc1cc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RICFUAMDKSPOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c1-16(30)17-8-7-9-19(12-17)28-27(31)21-15-23(29-22-11-6-5-10-20(21)22)18-13-24(32-2)26(34-4)25(14-18)33-3/h5-15H,1-4H3,(H,28,31).
What are the key properties of N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide?
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2331793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).