N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide

C24H20N2O2 — CID 10270385

IUPACN-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H20N2O2/c1-28-19-12-13-20-21(24(27)25-16-17-8-4-2-5-9-17)15-22(26-23(20)14-19)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyULHFEESQDIXXBS-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.84
Rot. Bonds5

About N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide

N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide (PubChem CID 10270385) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide
PubChem CID10270385
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C24H20N2O2/c1-28-19-12-13-20-21(24(27)25-16-17-8-4-2-5-9-17)15-22(26-23(20)14-19)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyULHFEESQDIXXBS-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide (CID 10270385) is N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide is COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide?
The InChIKey is ULHFEESQDIXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-19-12-13-20-21(24(27)25-16-17-8-4-2-5-9-17)15-22(26-23(20)14-19)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide?
N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxy-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 10270385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).