2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide

C21H19ClN4O3 — CID 162671196

IUPAC2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)NCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H19ClN4O3/c1-13(27)26-18-5-3-2-4-16(18)20(28)21(29)25-11-10-24-17-8-9-23-19-12-14(22)6-7-15(17)19/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,29)(H,26,27)
InChIKeyVBSYRRQQMCMYJR-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.26
Rot. Bonds7

About 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide

2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide (PubChem CID 162671196) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
PubChem CID162671196
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)NCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H19ClN4O3/c1-13(27)26-18-5-3-2-4-16(18)20(28)21(29)25-11-10-24-17-8-9-23-19-12-14(22)6-7-15(17)19/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,29)(H,26,27)
InChIKeyVBSYRRQQMCMYJR-UHFFFAOYSA-N
XLogP3.26
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
CID 67991877
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 100776891
2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
CID 21232282
1-(4-bromo-2,6-dimethylphenyl)-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]thiourea
CID 100570576
N-(3-chloro-2-methylphenyl)-2-[(7-chloroquinolin-4-yl)amino]acetamide
CID 9339333
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide?
The IUPAC name of 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide (CID 162671196) is 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide is CC(=O)Nc1ccccc1C(=O)C(=O)NCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide?
The InChIKey is VBSYRRQQMCMYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13(27)26-18-5-3-2-4-16(18)20(28)21(29)25-11-10-24-17-8-9-23-19-12-14(22)6-7-15(17)19/h2-9,12H,10-11H2,1H3,(H,23,24)(H,25,29)(H,26,27).
What are the key properties of 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide?
2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide has a molecular weight of 410.86 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide is sourced from PubChem (CID 162671196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).