N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C21H22N2O3 — CID 78796165

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C21H22N2O3/c1-3-23(12-13-24)21(25)18-14-20(15-8-10-16(26-2)11-9-15)22-19-7-5-4-6-17(18)19/h4-11,14,24H,3,12-13H2,1-2H3
InChIKeyWUWJOYHYXNPHKN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 78796165) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID78796165
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C21H22N2O3/c1-3-23(12-13-24)21(25)18-14-20(15-8-10-16(26-2)11-9-15)22-19-7-5-4-6-17(18)19/h4-11,14,24H,3,12-13H2,1-2H3
InChIKeyWUWJOYHYXNPHKN-UHFFFAOYSA-N
XLogP3.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077127
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 55343603
2-[2-(4-chlorophenyl)ethyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110077137
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110165696
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4522233
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 78796165) is N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is CCN(CCO)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is WUWJOYHYXNPHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-23(12-13-24)21(25)18-14-20(15-8-10-16(26-2)11-9-15)22-19-7-5-4-6-17(18)19/h4-11,14,24H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 78796165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).