methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate

C27H23ClN2O5 — CID 71077137

IUPACmethyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cc(CNC(=O)Cc3ccccc3Oc3ccccc3)c2nc1OC
InChIInChI=1S/C27H23ClN2O5/c1-33-26-22(27(32)34-2)14-18-12-20(28)13-19(25(18)30-26)16-29-24(31)15-17-8-6-7-11-23(17)35-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,29,31)
InChIKeyPMLSTQVGOCDNCV-UHFFFAOYSA-N
MW490.94 g/mol
LogP5.33
Rot. Bonds8

About methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate

methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate (PubChem CID 71077137) has the molecular formula C27H23ClN2O5 and a molecular weight of 490.94 g/mol. Its IUPAC name is methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate
PubChem CID71077137
Molecular FormulaC27H23ClN2O5
Molecular Weight490.94 g/mol
Exact Mass490.13
IUPAC Namemethyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cc(CNC(=O)Cc3ccccc3Oc3ccccc3)c2nc1OC
InChIInChI=1S/C27H23ClN2O5/c1-33-26-22(27(32)34-2)14-18-12-20(28)13-19(25(18)30-26)16-29-24(31)15-17-8-6-7-11-23(17)35-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,29,31)
InChIKeyPMLSTQVGOCDNCV-UHFFFAOYSA-N
XLogP5.33
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.94
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate with MolForge

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Related Compounds

methyl 6-chloro-2-methoxy-8-[[(2-methoxybenzoyl)amino]methyl]quinoline-3-carboxylate
CID 71077628
3-[(6-chloro-2-methoxy-3-methoxycarbonylquinolin-8-yl)methylamino]-3-oxopropanoic acid
CID 71077327
methyl 6-chloro-2-methoxy-8-[(2-phenylpropanoylamino)methyl]quinoline-3-carboxylate
CID 71077365
methyl 6-chloro-8-[[[2-(4-fluoro-2-methylphenyl)acetyl]amino]methyl]-2-methoxyquinoline-3-carboxylate
CID 71077502
methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate
CID 71077746
methyl 6-chloro-8-[[(3-ethoxy-3-oxopropanoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate
CID 71077222
methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate
CID 71077473
methyl 6-chloro-2-methoxy-8-[[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]methyl]quinoline-3-carboxylate
CID 71077755
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 3-(5-chloro-2-phenoxyphenyl)propanoate
CID 70289797
methyl 8-[[acetyl(triazol-1-yl)amino]methyl]-6-chloro-2-methoxyquinoline-3-carboxylate
CID 123140995
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 51097793

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate (CID 71077137) is methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate is COC(=O)c1cc2cc(Cl)cc(CNC(=O)Cc3ccccc3Oc3ccccc3)c2nc1OC.
What is the InChIKey of methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate?
The InChIKey is PMLSTQVGOCDNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O5/c1-33-26-22(27(32)34-2)14-18-12-20(28)13-19(25(18)30-26)16-29-24(31)15-17-8-6-7-11-23(17)35-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,29,31).
What are the key properties of methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate?
methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate has a molecular weight of 490.94 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate is sourced from PubChem (CID 71077137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).