2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

C25H22N2O3 — CID 3405507

IUPAC2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O3/c1-29-19-12-10-18(11-13-19)24-15-22(21-8-3-4-9-23(21)27-24)25(28)26-16-17-6-5-7-20(14-17)30-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyQXTCDCQVMKDSLV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.85
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 3405507) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID3405507
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C25H22N2O3/c1-29-19-12-10-18(11-13-19)24-15-22(21-8-3-4-9-23(21)27-24)25(28)26-16-17-6-5-7-20(14-17)30-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyQXTCDCQVMKDSLV-UHFFFAOYSA-N
XLogP4.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 3405507) is 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is QXTCDCQVMKDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-19-12-10-18(11-13-19)24-15-22(21-8-3-4-9-23(21)27-24)25(28)26-16-17-6-5-7-20(14-17)30-2/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 3405507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).