[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate

C25H20N2O5 — CID 177415031

IUPAC[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccccc3)c3cccnc23)cc1OC
InChIInChI=1S/C25H20N2O5/c1-30-21-12-10-17(15-22(21)31-2)24(28)27-19-11-13-20(18-9-6-14-26-23(18)19)32-25(29)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,27,28)
InChIKeyCFJNOTBOBDQKHQ-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.72
Rot. Bonds6

About [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate

[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate (PubChem CID 177415031) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate.

Molecular Properties

Compound Name[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
PubChem CID177415031
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccccc3)c3cccnc23)cc1OC
InChIInChI=1S/C25H20N2O5/c1-30-21-12-10-17(15-22(21)31-2)24(28)27-19-11-13-20(18-9-6-14-26-23(18)19)32-25(29)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,27,28)
InChIKeyCFJNOTBOBDQKHQ-UHFFFAOYSA-N
XLogP4.72
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
2-(dimethylamino)-N-(8-methoxyquinolin-5-yl)pyridine-4-carboxamide
CID 71886791
N-(8-methoxyquinolin-5-yl)-3-propoxybenzamide
CID 26823105
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673

Frequently Asked Questions

What is the IUPAC name of [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate?
The IUPAC name of [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate (CID 177415031) is [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate.
What is the SMILES notation for [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate?
The canonical SMILES for [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate is COc1ccc(C(=O)Nc2ccc(OC(=O)c3ccccc3)c3cccnc23)cc1OC.
What is the InChIKey of [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate?
The InChIKey is CFJNOTBOBDQKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-30-21-12-10-17(15-22(21)31-2)24(28)27-19-11-13-20(18-9-6-14-26-23(18)19)32-25(29)16-7-4-3-5-8-16/h3-15H,1-2H3,(H,27,28).
What are the key properties of [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate?
[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate has a molecular weight of 428.44 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate is sourced from PubChem (CID 177415031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).