methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate

C25H20ClN3O4 — CID 69418387

IUPACmethyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate
SMILESCOC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cnc2Oc2ccc3cccnc3c2)cc1
InChIInChI=1S/C25H20ClN3O4/c1-15(16-5-7-18(8-6-16)25(31)32-2)29-23(30)21-12-19(26)14-28-24(21)33-20-10-9-17-4-3-11-27-22(17)13-20/h3-15H,1-2H3,(H,29,30)/t15-/m0/s1
InChIKeyMHZIRKAAQQVFJQ-HNNXBMFYSA-N
MW461.91 g/mol
LogP5.35
Rot. Bonds6

About methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate

methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate (PubChem CID 69418387) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate
PubChem CID69418387
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC Namemethyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate
SMILESCOC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cnc2Oc2ccc3cccnc3c2)cc1
InChIInChI=1S/C25H20ClN3O4/c1-15(16-5-7-18(8-6-16)25(31)32-2)29-23(30)21-12-19(26)14-28-24(21)33-20-10-9-17-4-3-11-27-22(17)13-20/h3-15H,1-2H3,(H,29,30)/t15-/m0/s1
InChIKeyMHZIRKAAQQVFJQ-HNNXBMFYSA-N
XLogP5.35
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate 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

methyl 4-[(1S)-1-[[5-chloro-2-(3-chlorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69419054
methyl 4-[(1S)-1-[(5-chloro-2-phenoxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69417840
4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11697738
4-[(1S)-1-[[5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11539652
tert-butyl 4-[(1S)-1-[[5-chloro-2-[3-(1,3-thiazol-2-yl)phenoxy]pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69051089
tert-butyl 4-[(1S)-1-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[(1S)-1-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 158402131
5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141125127
4-[(1S)-1-[[5-chloro-2-[4-[2-(dimethylamino)ethyl]phenoxy]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 58905357
tert-butyl 4-[(1S)-1-[[5-chloro-2-(2,3-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate
CID 69418851
5-chloro-2-(4-fluorophenoxy)-N-[(1S)-1-[4-[(3-methoxyphenyl)sulfonylcarbamoyl]phenyl]ethyl]pyridine-3-carboxamide
CID 58905321
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
4-[(1S)-1-[[5-chloro-2-(2-chloro-4-methylphenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 58905327

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate?
The IUPAC name of methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate (CID 69418387) is methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate is COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cnc2Oc2ccc3cccnc3c2)cc1.
What is the InChIKey of methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate?
The InChIKey is MHZIRKAAQQVFJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-15(16-5-7-18(8-6-16)25(31)32-2)29-23(30)21-12-19(26)14-28-24(21)33-20-10-9-17-4-3-11-27-22(17)13-20/h3-15H,1-2H3,(H,29,30)/t15-/m0/s1.
What are the key properties of methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate?
methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate has a molecular weight of 461.91 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1S)-1-[(5-chloro-2-quinolin-7-yloxypyridine-3-carbonyl)amino]ethyl]benzoate is sourced from PubChem (CID 69418387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).