2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide

C20H15ClN2O2 — CID 90580105

IUPAC2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOc1ccc2cccnc2c1)c1ccccc1Cl
InChIInChI=1S/C20H15ClN2O2/c21-18-8-2-1-7-17(18)20(24)23-11-3-4-13-25-16-10-9-15-6-5-12-22-19(15)14-16/h1-2,5-10,12,14H,11,13H2,(H,23,24)
InChIKeyWBHJUWKUNIZXTA-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide

2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide (PubChem CID 90580105) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
PubChem CID90580105
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOc1ccc2cccnc2c1)c1ccccc1Cl
InChIInChI=1S/C20H15ClN2O2/c21-18-8-2-1-7-17(18)20(24)23-11-3-4-13-25-16-10-9-15-6-5-12-22-19(15)14-16/h1-2,5-10,12,14H,11,13H2,(H,23,24)
InChIKeyWBHJUWKUNIZXTA-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'}

Analyze 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580039
2,3-dimethoxy-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580096
4-tert-butyl-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580086
3-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580076
1-ethyl-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580309
3-bromo-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580109
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
N-(4-quinolin-7-yloxybut-2-ynyl)-1,3-benzothiazole-6-carboxamide
CID 90580027
4-(4-chlorophenyl)-4-oxo-N-(4-quinolin-7-yloxybut-2-ynyl)butanamide
CID 90580032
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148
1-(2-ethoxyphenyl)-3-(4-quinolin-7-yloxybut-2-ynyl)urea
CID 90580295
3-(benzenesulfonyl)-N-(4-quinolin-7-yloxybut-2-ynyl)propanamide
CID 90580234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
The IUPAC name of 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide (CID 90580105) is 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide is O=C(NCC#CCOc1ccc2cccnc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
The InChIKey is WBHJUWKUNIZXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-18-8-2-1-7-17(18)20(24)23-11-3-4-13-25-16-10-9-15-6-5-12-22-19(15)14-16/h1-2,5-10,12,14H,11,13H2,(H,23,24).
What are the key properties of 2-chloro-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide?
2-chloro-N-(4-quinolin-7-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-7-yloxybut-2-ynyl)benzamide is sourced from PubChem (CID 90580105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).