(8-benzamido-6-methoxyquinolin-5-yl) acetate

C19H16N2O4 — CID 132937577

IUPAC(8-benzamido-6-methoxyquinolin-5-yl) acetate
SMILESCOc1cc(NC(=O)c2ccccc2)c2ncccc2c1OC(C)=O
InChIInChI=1S/C19H16N2O4/c1-12(22)25-18-14-9-6-10-20-17(14)15(11-16(18)24-2)21-19(23)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,21,23)
InChIKeyXQUYECQVNGUGDS-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.42
Rot. Bonds4

About (8-benzamido-6-methoxyquinolin-5-yl) acetate

(8-benzamido-6-methoxyquinolin-5-yl) acetate (PubChem CID 132937577) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (8-benzamido-6-methoxyquinolin-5-yl) acetate.

Molecular Properties

Compound Name(8-benzamido-6-methoxyquinolin-5-yl) acetate
PubChem CID132937577
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(8-benzamido-6-methoxyquinolin-5-yl) acetate
SMILESCOc1cc(NC(=O)c2ccccc2)c2ncccc2c1OC(C)=O
InChIInChI=1S/C19H16N2O4/c1-12(22)25-18-14-9-6-10-20-17(14)15(11-16(18)24-2)21-19(23)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,21,23)
InChIKeyXQUYECQVNGUGDS-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

4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
[8-[(3,4-dimethoxybenzoyl)amino]quinolin-5-yl] benzoate
CID 177415031
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
N-(4-bromoquinolin-8-yl)benzamide
CID 163361667
[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927978
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
3,4,5-trimethoxy-N-(8-propoxyquinolin-5-yl)benzamide
CID 26823282

Frequently Asked Questions

What is the IUPAC name of (8-benzamido-6-methoxyquinolin-5-yl) acetate?
The IUPAC name of (8-benzamido-6-methoxyquinolin-5-yl) acetate (CID 132937577) is (8-benzamido-6-methoxyquinolin-5-yl) acetate.
What is the SMILES notation for (8-benzamido-6-methoxyquinolin-5-yl) acetate?
The canonical SMILES for (8-benzamido-6-methoxyquinolin-5-yl) acetate is COc1cc(NC(=O)c2ccccc2)c2ncccc2c1OC(C)=O.
What is the InChIKey of (8-benzamido-6-methoxyquinolin-5-yl) acetate?
The InChIKey is XQUYECQVNGUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)25-18-14-9-6-10-20-17(14)15(11-16(18)24-2)21-19(23)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,21,23).
What are the key properties of (8-benzamido-6-methoxyquinolin-5-yl) acetate?
(8-benzamido-6-methoxyquinolin-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-benzamido-6-methoxyquinolin-5-yl) acetate is sourced from PubChem (CID 132937577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).