(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate

C29H25N3O5 — CID 23828684

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C29H25N3O5/c33-27(32-14-16-36-17-15-32)19-37-29(35)22-11-5-7-13-25(22)31-28(34)23-18-26(20-8-2-1-3-9-20)30-24-12-6-4-10-21(23)24/h1-13,18H,14-17,19H2,(H,31,34)
InChIKeyBXQRGCOJAZMNTL-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.17
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate

(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate (PubChem CID 23828684) has the molecular formula C29H25N3O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
PubChem CID23828684
Molecular FormulaC29H25N3O5
Molecular Weight495.54 g/mol
Exact Mass495.18
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C29H25N3O5/c33-27(32-14-16-36-17-15-32)19-37-29(35)22-11-5-7-13-25(22)31-28(34)23-18-26(20-8-2-1-3-9-20)30-24-12-6-4-10-21(23)24/h1-13,18H,14-17,19H2,(H,31,34)
InChIKeyBXQRGCOJAZMNTL-UHFFFAOYSA-N
XLogP4.17
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate with MolForge

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 55545860
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23936357
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135798280
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate
CID 23993278
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
CID 46700452
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766683
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate (CID 23828684) is (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate is O=C(OCC(=O)N1CCOCC1)c1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is BXQRGCOJAZMNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5/c33-27(32-14-16-36-17-15-32)19-37-29(35)22-11-5-7-13-25(22)31-28(34)23-18-26(20-8-2-1-3-9-20)30-24-12-6-4-10-21(23)24/h1-13,18H,14-17,19H2,(H,31,34).
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 495.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 23828684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).