2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C36H38N2O4 — CID 174482653

IUPAC2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCOc1ccc(CCC(=O)N2c3ccccc3C(N(C(=O)C(C)c3ccc(OC)cc3)c3ccccc3)CC2C)cc1
InChIInChI=1S/C36H38N2O4/c1-25-24-34(38(29-10-6-5-7-11-29)36(40)26(2)28-17-21-31(42-4)22-18-28)32-12-8-9-13-33(32)37(25)35(39)23-16-27-14-19-30(41-3)20-15-27/h5-15,17-22,25-26,34H,16,23-24H2,1-4H3
InChIKeyPVNNGIQFFNNLGA-UHFFFAOYSA-N
MW562.71 g/mol
LogP7.34
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 174482653) has the molecular formula C36H38N2O4 and a molecular weight of 562.71 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID174482653
Molecular FormulaC36H38N2O4
Molecular Weight562.71 g/mol
Exact Mass562.28
IUPAC Name2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCOc1ccc(CCC(=O)N2c3ccccc3C(N(C(=O)C(C)c3ccc(OC)cc3)c3ccccc3)CC2C)cc1
InChIInChI=1S/C36H38N2O4/c1-25-24-34(38(29-10-6-5-7-11-29)36(40)26(2)28-17-21-31(42-4)22-18-28)32-12-8-9-13-33(32)37(25)35(39)23-16-27-14-19-30(41-3)20-15-27/h5-15,17-22,25-26,34H,16,23-24H2,1-4H3
InChIKeyPVNNGIQFFNNLGA-UHFFFAOYSA-N
XLogP7.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 174482653) is 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is COc1ccc(CCC(=O)N2c3ccccc3C(N(C(=O)C(C)c3ccc(OC)cc3)c3ccccc3)CC2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is PVNNGIQFFNNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O4/c1-25-24-34(38(29-10-6-5-7-11-29)36(40)26(2)28-17-21-31(42-4)22-18-28)32-12-8-9-13-33(32)37(25)35(39)23-16-27-14-19-30(41-3)20-15-27/h5-15,17-22,25-26,34H,16,23-24H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 562.71 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 174482653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).