4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide

C23H19ClN2O3 — CID 90580032

IUPAC4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCC#CCOc1ccc2cccnc2c1
InChIInChI=1S/C23H19ClN2O3/c24-19-8-5-18(6-9-19)22(27)11-12-23(28)26-13-1-2-15-29-20-10-7-17-4-3-14-25-21(17)16-20/h3-10,14,16H,11-13,15H2,(H,26,28)
InChIKeyWEOFFEKIZHSFCY-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.05
Rot. Bonds7

About 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide

4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide (PubChem CID 90580032) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
PubChem CID90580032
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCC#CCOc1ccc2cccnc2c1
InChIInChI=1S/C23H19ClN2O3/c24-19-8-5-18(6-9-19)22(27)11-12-23(28)26-13-1-2-15-29-20-10-7-17-4-3-14-25-21(17)16-20/h3-10,14,16H,11-13,15H2,(H,26,28)
InChIKeyWEOFFEKIZHSFCY-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580076
3-(benzenesulfonyl)-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580234
4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580086
2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580105
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
3-bromo-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580109
4-(4-chlorophenyl)-N-[4-(2-methylphenoxy)but-2-ynyl]-4-oxobutanamide
CID 90575120
N-(4-quinolin-7-yloxybut-2-ynyl)-1,3-benzothiazole-6-carboxamide
CID 90580027
5-chloro-2-methyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzenesulfonamide
CID 90580362
4-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-oxobutanamide
CID 90548870
1-(2-ethoxyphenyl)-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580295

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide (CID 90580032) is 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCC#CCOc1ccc2cccnc2c1.
What is the InChIKey of 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide?
The InChIKey is WEOFFEKIZHSFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-19-8-5-18(6-9-19)22(27)11-12-23(28)26-13-1-2-15-29-20-10-7-17-4-3-14-25-21(17)16-20/h3-10,14,16H,11-13,15H2,(H,26,28).
What are the key properties of 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide?
4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide has a molecular weight of 406.87 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide is sourced from PubChem (CID 90580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).