2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide

C19H18ClN3O2 — CID 57126589

IUPAC2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)c2cnc3cc(Cl)ccc3c2)cc1)C(N)=O
InChIInChI=1S/C19H18ClN3O2/c1-12(19(21)24)25-17-7-5-15(6-8-17)23(2)16-9-13-3-4-14(20)10-18(13)22-11-16/h3-12H,1-2H3,(H2,21,24)
InChIKeyMDLQESLGRJRBPM-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.91
Rot. Bonds5

About 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide

2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide (PubChem CID 57126589) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide
PubChem CID57126589
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)c2cnc3cc(Cl)ccc3c2)cc1)C(N)=O
InChIInChI=1S/C19H18ClN3O2/c1-12(19(21)24)25-17-7-5-15(6-8-17)23(2)16-9-13-3-4-14(20)10-18(13)22-11-16/h3-12H,1-2H3,(H2,21,24)
InChIKeyMDLQESLGRJRBPM-UHFFFAOYSA-N
XLogP3.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(7-chlorocinnolin-3-yl)-methylamino]phenoxy]propanoate
CID 70481100
2-(7-aminoquinolin-3-yl)oxypropanamide
CID 142157932
2-(7-methylquinolin-3-yl)oxypropanamide
CID 58806284
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-methylamino]phenoxy]propanamide
CID 163994704
methyl 2-[4-[(1,7-dichloroisoquinolin-3-yl)-methylamino]phenoxy]propanoate
CID 13386230
2-[4-[(6-chloro-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoic acid
CID 10970039
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid
CID 23500327
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 67616847
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
2-(dimethylamino)ethyl 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methylamino]phenoxy]propanoate
CID 70521860
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide?
The IUPAC name of 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide (CID 57126589) is 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide.
What is the SMILES notation for 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide?
The canonical SMILES for 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide is CC(Oc1ccc(N(C)c2cnc3cc(Cl)ccc3c2)cc1)C(N)=O.
What is the InChIKey of 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide?
The InChIKey is MDLQESLGRJRBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(19(21)24)25-17-7-5-15(6-8-17)23(2)16-9-13-3-4-14(20)10-18(13)22-11-16/h3-12H,1-2H3,(H2,21,24).
What are the key properties of 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide?
2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide has a molecular weight of 355.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide is sourced from PubChem (CID 57126589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).