N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C26H26N2O3 — CID 69401991

IUPACN-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCOc1ccc(C(=O)N2c3ccccc3C(C(=O)NCc3ccccc3)CC2C)cc1
InChIInChI=1S/C26H26N2O3/c1-18-16-23(25(29)27-17-19-8-4-3-5-9-19)22-10-6-7-11-24(22)28(18)26(30)20-12-14-21(31-2)15-13-20/h3-15,18,23H,16-17H2,1-2H3,(H,27,29)
InChIKeyYTULDKYZNNHNPD-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.53
Rot. Bonds5

About N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 69401991) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID69401991
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCOc1ccc(C(=O)N2c3ccccc3C(C(=O)NCc3ccccc3)CC2C)cc1
InChIInChI=1S/C26H26N2O3/c1-18-16-23(25(29)27-17-19-8-4-3-5-9-19)22-10-6-7-11-24(22)28(18)26(30)20-12-14-21(31-2)15-13-20/h3-15,18,23H,16-17H2,1-2H3,(H,27,29)
InChIKeyYTULDKYZNNHNPD-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 69401991) is N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is COc1ccc(C(=O)N2c3ccccc3C(C(=O)NCc3ccccc3)CC2C)cc1.
What is the InChIKey of N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is YTULDKYZNNHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-18-16-23(25(29)27-17-19-8-4-3-5-9-19)22-10-6-7-11-24(22)28(18)26(30)20-12-14-21(31-2)15-13-20/h3-15,18,23H,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 69401991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).