4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide

C20H19ClN4O2 — CID 67991877

IUPAC4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13(26)25-16-5-2-14(3-6-16)20(27)24-11-10-23-18-8-9-22-19-12-15(21)4-7-17(18)19/h2-9,12H,10-11H2,1H3,(H,22,23)(H,24,27)(H,25,26)
InChIKeyNMKOKBKDXXZSTG-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.69
Rot. Bonds6

About 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide

4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide (PubChem CID 67991877) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
PubChem CID67991877
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C20H19ClN4O2/c1-13(26)25-16-5-2-14(3-6-16)20(27)24-11-10-23-18-8-9-22-19-12-15(21)4-7-17(18)19/h2-9,12H,10-11H2,1H3,(H,22,23)(H,24,27)(H,25,26)
InChIKeyNMKOKBKDXXZSTG-UHFFFAOYSA-N
XLogP3.69
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
CID 162671196
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
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
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide (CID 67991877) is 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide?
The InChIKey is NMKOKBKDXXZSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13(26)25-16-5-2-14(3-6-16)20(27)24-11-10-23-18-8-9-22-19-12-15(21)4-7-17(18)19/h2-9,12H,10-11H2,1H3,(H,22,23)(H,24,27)(H,25,26).
What are the key properties of 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide?
4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 67991877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).