2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide

C34H32N2O3 — CID 102136704

IUPAC2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide
SMILESCOc1ccc(CC(Cc2ccccc2)(Cc2cccc(OC)c2)C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C34H32N2O3/c1-38-29-18-16-26(17-19-29)23-34(22-25-9-4-3-5-10-25,24-27-11-6-14-30(21-27)39-2)33(37)36-31-15-7-12-28-13-8-20-35-32(28)31/h3-21H,22-24H2,1-2H3,(H,36,37)
InChIKeyZVMIYWGTTIYMKF-UHFFFAOYSA-N
MW516.64 g/mol
LogP6.91
Rot. Bonds10

About 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide

2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide (PubChem CID 102136704) has the molecular formula C34H32N2O3 and a molecular weight of 516.64 g/mol. Its IUPAC name is 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide
PubChem CID102136704
Molecular FormulaC34H32N2O3
Molecular Weight516.64 g/mol
Exact Mass516.24
IUPAC Name2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide
SMILESCOc1ccc(CC(Cc2ccccc2)(Cc2cccc(OC)c2)C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C34H32N2O3/c1-38-29-18-16-26(17-19-29)23-34(22-25-9-4-3-5-10-25,24-27-11-6-14-30(21-27)39-2)33(37)36-31-15-7-12-28-13-8-20-35-32(28)31/h3-21H,22-24H2,1-2H3,(H,36,37)
InChIKeyZVMIYWGTTIYMKF-UHFFFAOYSA-N
XLogP6.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
CID 102136715
N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
CID 108948737
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide
CID 166440512
3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide
CID 163216169
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
5-ethyl-N-quinolin-8-ylfuran-2-carboxamide
CID 110697813

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide?
The IUPAC name of 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide (CID 102136704) is 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide?
The canonical SMILES for 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide is COc1ccc(CC(Cc2ccccc2)(Cc2cccc(OC)c2)C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide?
The InChIKey is ZVMIYWGTTIYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O3/c1-38-29-18-16-26(17-19-29)23-34(22-25-9-4-3-5-10-25,24-27-11-6-14-30(21-27)39-2)33(37)36-31-15-7-12-28-13-8-20-35-32(28)31/h3-21H,22-24H2,1-2H3,(H,36,37).
What are the key properties of 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide?
2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide has a molecular weight of 516.64 g/mol, XLogP of 6.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 102136704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).