2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide

C20H15ClN2O2 — CID 90579697

IUPAC2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C20H15ClN2O2/c21-17-10-2-1-9-16(17)20(24)23-12-3-4-14-25-18-11-5-7-15-8-6-13-22-19(15)18/h1-2,5-11,13H,12,14H2,(H,23,24)
InChIKeyOYZVAVNJTROFQL-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide

2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide (PubChem CID 90579697) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
PubChem CID90579697
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C20H15ClN2O2/c21-17-10-2-1-9-16(17)20(24)23-12-3-4-14-25-18-11-5-7-15-8-6-13-22-19(15)18/h1-2,5-11,13H,12,14H2,(H,23,24)
InChIKeyOYZVAVNJTROFQL-UHFFFAOYSA-N
XLogP3.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580105
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
4,5-dimethoxy-2-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579786
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896
4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
CID 90579761
2-indol-1-yl-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579587
N-(4-quinolin-8-yloxybut-2-ynyl)-9H-xanthene-9-carboxamide
CID 90579776
1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide
CID 90579806
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide?
The IUPAC name of 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide (CID 90579697) is 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide is O=C(NCC#CCOc1cccc2cccnc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide?
The InChIKey is OYZVAVNJTROFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-17-10-2-1-9-16(17)20(24)23-12-3-4-14-25-18-11-5-7-15-8-6-13-22-19(15)18/h1-2,5-11,13H,12,14H2,(H,23,24).
What are the key properties of 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide?
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide has a molecular weight of 350.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide is sourced from PubChem (CID 90579697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).