N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide

C30H33N3O3 — CID 15990882

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc(Nc3ccc(C)cc3C)nc3ccccc23)cc1OCC
InChIInChI=1S/C30H33N3O3/c1-5-35-27-14-12-22(18-28(27)36-6-2)15-16-31-30(34)24-19-29(33-26-10-8-7-9-23(24)26)32-25-13-11-20(3)17-21(25)4/h7-14,17-19H,5-6,15-16H2,1-4H3,(H,31,34)(H,32,33)
InChIKeyXZRVKZNTXXXKCS-UHFFFAOYSA-N
MW483.61 g/mol
LogP6.37
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide (PubChem CID 15990882) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide
PubChem CID15990882
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc(Nc3ccc(C)cc3C)nc3ccccc23)cc1OCC
InChIInChI=1S/C30H33N3O3/c1-5-35-27-14-12-22(18-28(27)36-6-2)15-16-31-30(34)24-19-29(33-26-10-8-7-9-23(24)26)32-25-13-11-20(3)17-21(25)4/h7-14,17-19H,5-6,15-16H2,1-4H3,(H,31,34)(H,32,33)
InChIKeyXZRVKZNTXXXKCS-UHFFFAOYSA-N
XLogP6.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

PF-02575799
CID 24999167
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 24822428
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide
CID 4219491
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 12005317
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[(dimethylamino)methyl]-N-methylbenzamide
CID 10097792
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
CID 10651334
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-2-[(6-aminohexylamino)methyl]-N-methylbenzamide
CID 10745791
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl](phenyl)methanone
CID 14069001

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide (CID 15990882) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide is CCOc1ccc(CCNC(=O)c2cc(Nc3ccc(C)cc3C)nc3ccccc23)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The InChIKey is XZRVKZNTXXXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-5-35-27-14-12-22(18-28(27)36-6-2)15-16-31-30(34)24-19-29(33-26-10-8-7-9-23(24)26)32-25-13-11-20(3)17-21(25)4/h7-14,17-19H,5-6,15-16H2,1-4H3,(H,31,34)(H,32,33).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 6.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).