2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide

C26H25N3O3 — CID 15990753

IUPAC2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H25N3O3/c1-31-23-13-12-19(16-24(23)32-2)28-25-17-21(20-10-6-7-11-22(20)29-25)26(30)27-15-14-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyOALCXHDDBKFVCQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.97
Rot. Bonds8

About 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide

2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 15990753) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID15990753
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H25N3O3/c1-31-23-13-12-19(16-24(23)32-2)28-25-17-21(20-10-6-7-11-22(20)29-25)26(30)27-15-14-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyOALCXHDDBKFVCQ-UHFFFAOYSA-N
XLogP4.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854614
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
2-(3,4-dimethoxyanilino)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 92660878
2-(3,4-dimethoxyanilino)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 20854362
N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 20854638
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide (CID 15990753) is 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is OALCXHDDBKFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-31-23-13-12-19(16-24(23)32-2)28-25-17-21(20-10-6-7-11-22(20)29-25)26(30)27-15-14-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 15990753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).