methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate

C22H21N3O4 — CID 53001664

IUPACmethyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1
InChIInChI=1S/C22H21N3O4/c1-28-22(27)15-6-8-16(9-7-15)24-20-17-4-2-3-5-19(17)23-14-18(20)21(26)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,24)
InChIKeyWWRRMTDTYLDRHG-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.24
Rot. Bonds4

About methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate

methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate (PubChem CID 53001664) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
PubChem CID53001664
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1
InChIInChI=1S/C22H21N3O4/c1-28-22(27)15-6-8-16(9-7-15)24-20-17-4-2-3-5-19(17)23-14-18(20)21(26)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,24)
InChIKeyWWRRMTDTYLDRHG-UHFFFAOYSA-N
XLogP3.24
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001478
[4-(2-ethylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001473
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
[4-(2-chloro-4-methylanilino)quinolin-3-yl]-morpholin-4-ylmethanone
CID 27371221
[4-(4-bromoanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001674
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109228503
[4-[(4-chlorophenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53001489
4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109184691
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate (CID 53001664) is methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate is COC(=O)c1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1.
What is the InChIKey of methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate?
The InChIKey is WWRRMTDTYLDRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-22(27)15-6-8-16(9-7-15)24-20-17-4-2-3-5-19(17)23-14-18(20)21(26)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,24).
What are the key properties of methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate?
methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate has a molecular weight of 391.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(morpholine-4-carbonyl)quinolin-4-yl]amino]benzoate is sourced from PubChem (CID 53001664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).