N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C25H21ClN2O2 — CID 5095364

IUPACN-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C25H21ClN2O2/c1-2-30-19-13-11-17(12-14-19)24-15-21(20-8-4-6-10-23(20)28-24)25(29)27-16-18-7-3-5-9-22(18)26/h3-15H,2,16H2,1H3,(H,27,29)
InChIKeyAMSZLMHQFZWMRD-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.88
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 5095364) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID5095364
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C25H21ClN2O2/c1-2-30-19-13-11-17(12-14-19)24-15-21(20-8-4-6-10-23(20)28-24)25(29)27-16-18-7-3-5-9-22(18)26/h3-15H,2,16H2,1H3,(H,27,29)
InChIKeyAMSZLMHQFZWMRD-UHFFFAOYSA-N
XLogP5.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
Biarylether amide quinoline, 4i
CID 44472997
3-[3-(8-Chloro-3-methylquinolin-4-yl)phenoxy]-N-ethylbenzamide
CID 44472998
Biarylether amide quinoline, 4k
CID 44472999
Biarylether amide quinoline, 4l
CID 44473000
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10387351
N-(4-chlorophenyl)-6-(7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824184
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 5095364) is N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is AMSZLMHQFZWMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-2-30-19-13-11-17(12-14-19)24-15-21(20-8-4-6-10-23(20)28-24)25(29)27-16-18-7-3-5-9-22(18)26/h3-15H,2,16H2,1H3,(H,27,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5095364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).