N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H17ClN4O2 — CID 100776891

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H17ClN4O2/c22-15-6-7-16-17(8-9-23-18(16)12-15)24-10-11-25-21(27)19-13-20(28-26-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24)(H,25,27)
InChIKeyMYOQGPCJDJQUMI-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.39
Rot. Bonds6

About N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 100776891) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID100776891
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H17ClN4O2/c22-15-6-7-16-17(8-9-23-18(16)12-15)24-10-11-25-21(27)19-13-20(28-26-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24)(H,25,27)
InChIKeyMYOQGPCJDJQUMI-UHFFFAOYSA-N
XLogP4.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
CID 67991877
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100769211
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N'-(7-chloroquinolin-4-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 118729706
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
CID 162671196
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide
CID 71520744
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 100776891) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MYOQGPCJDJQUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c22-15-6-7-16-17(8-9-23-18(16)12-15)24-10-11-25-21(27)19-13-20(28-26-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,24)(H,25,27).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 100776891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).