methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate

C23H21N3O3 — CID 171492195

IUPACmethyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-28-23(27)18-5-3-17(4-6-18)21-13-19(15-26-8-10-29-11-9-26)20-7-2-16(14-24)12-22(20)25-21/h2-7,12-13H,8-11,15H2,1H3
InChIKeyXGEQEBGNSHREIZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.39
Rot. Bonds4

About methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate

methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate (PubChem CID 171492195) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate
PubChem CID171492195
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namemethyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1
InChIInChI=1S/C23H21N3O3/c1-28-23(27)18-5-3-17(4-6-18)21-13-19(15-26-8-10-29-11-9-26)20-7-2-16(14-24)12-22(20)25-21/h2-7,12-13H,8-11,15H2,1H3
InChIKeyXGEQEBGNSHREIZ-UHFFFAOYSA-N
XLogP3.39
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate with MolForge

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Related Compounds

4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzonitrile
CID 171492279
5-[7-fluoro-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
CID 160642239
methyl 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate
CID 68758496
N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide
CID 171492268
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
1-[4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]-2-iminoethanone
CID 171492179
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
1-[2-chloro-4-[7-chloro-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;1-[2-chloro-4-[7-isocyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]phenyl]propan-2-one;5-[7-isocyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]-2-(2-oxopropyl)benzonitrile
CID 160654002
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
CID 122423843
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224

Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate?
The IUPAC name of methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate (CID 171492195) is methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate?
The canonical SMILES for methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate is COC(=O)c1ccc(-c2cc(CN3CCOCC3)c3ccc(C#N)cc3n2)cc1.
What is the InChIKey of methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate?
The InChIKey is XGEQEBGNSHREIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-23(27)18-5-3-17(4-6-18)21-13-19(15-26-8-10-29-11-9-26)20-7-2-16(14-24)12-22(20)25-21/h2-7,12-13H,8-11,15H2,1H3.
What are the key properties of methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate?
methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate has a molecular weight of 387.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate is sourced from PubChem (CID 171492195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).