[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate

C19H16N2O4 — CID 132937566

IUPAC[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
SMILESCOc1ccc(C(=O)Nc2ccc(OC(C)=O)c3cccnc23)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)25-17-10-9-16(18-15(17)4-3-11-20-18)21-19(23)13-5-7-14(24-2)8-6-13/h3-11H,1-2H3,(H,21,23)
InChIKeyQZSDTLRCSFSDES-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.42
Rot. Bonds4

About [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate

[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate (PubChem CID 132937566) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate.

Molecular Properties

Compound Name[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
PubChem CID132937566
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
SMILESCOc1ccc(C(=O)Nc2ccc(OC(C)=O)c3cccnc23)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)25-17-10-9-16(18-15(17)4-3-11-20-18)21-19(23)13-5-7-14(24-2)8-6-13/h3-11H,1-2H3,(H,21,23)
InChIKeyQZSDTLRCSFSDES-UHFFFAOYSA-N
XLogP3.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
(8-benzamido-6-methoxyquinolin-5-yl) acetate
CID 132937577
[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
CID 132937573
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962
[8-[(4-fluorobenzoyl)amino]quinolin-5-yl] 4-methylbenzenesulfonate
CID 138976021
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
N-(5-bromoquinolin-8-yl)-4-[(4-methylphenoxy)methyl]benzamide
CID 126187586
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
N-imidazo[1,2-a]pyridin-8-yl-4-methoxybenzamide
CID 110735065

Frequently Asked Questions

What is the IUPAC name of [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate?
The IUPAC name of [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate (CID 132937566) is [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate.
What is the SMILES notation for [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate?
The canonical SMILES for [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate is COc1ccc(C(=O)Nc2ccc(OC(C)=O)c3cccnc23)cc1.
What is the InChIKey of [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate?
The InChIKey is QZSDTLRCSFSDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)25-17-10-9-16(18-15(17)4-3-11-20-18)21-19(23)13-5-7-14(24-2)8-6-13/h3-11H,1-2H3,(H,21,23).
What are the key properties of [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate?
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate has a molecular weight of 336.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate is sourced from PubChem (CID 132937566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).