2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide

C30H24N2O4 — CID 5052726

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C30H24N2O4/c1-34-28-17-12-20(18-29(28)35-2)27-19-25(24-10-6-7-11-26(24)32-27)30(33)31-21-13-15-23(16-14-21)36-22-8-4-3-5-9-22/h3-19H,1-2H3,(H,31,33)
InChIKeyRXFSLPKCMMSKQZ-UHFFFAOYSA-N
MW476.53 g/mol
LogP6.96
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide (PubChem CID 5052726) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide
PubChem CID5052726
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C30H24N2O4/c1-34-28-17-12-20(18-29(28)35-2)27-19-25(24-10-6-7-11-26(24)32-27)30(33)31-21-13-15-23(16-14-21)36-22-8-4-3-5-9-22/h3-19H,1-2H3,(H,31,33)
InChIKeyRXFSLPKCMMSKQZ-UHFFFAOYSA-N
XLogP6.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide (CID 5052726) is 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RXFSLPKCMMSKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-34-28-17-12-20(18-29(28)35-2)27-19-25(24-10-6-7-11-26(24)32-27)30(33)31-21-13-15-23(16-14-21)36-22-8-4-3-5-9-22/h3-19H,1-2H3,(H,31,33).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5052726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).