N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide

C24H21N3O2 — CID 15990780

IUPACN-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-19-13-11-18(12-14-19)26-23-15-21(20-9-5-6-10-22(20)27-23)24(28)25-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyRUJBCBAILWFAEB-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.92
Rot. Bonds6

About N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide

N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide (PubChem CID 15990780) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide
PubChem CID15990780
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-19-13-11-18(12-14-19)26-23-15-21(20-9-5-6-10-22(20)27-23)24(28)25-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyRUJBCBAILWFAEB-UHFFFAOYSA-N
XLogP4.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide (CID 15990780) is N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is RUJBCBAILWFAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-19-13-11-18(12-14-19)26-23-15-21(20-9-5-6-10-22(20)27-23)24(28)25-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide?
N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).