4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide

C19H19N3O3 — CID 176515048

IUPAC4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(C(=O)NO)cc3)c2c1
InChIInChI=1S/C19H19N3O3/c1-3-25-15-8-9-17-16(11-15)18(10-12(2)20-17)21-14-6-4-13(5-7-14)19(23)22-24/h4-11,24H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyURLBTLJAJXTCEX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.80
Rot. Bonds5

About 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide

4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide (PubChem CID 176515048) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
PubChem CID176515048
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(C(=O)NO)cc3)c2c1
InChIInChI=1S/C19H19N3O3/c1-3-25-15-8-9-17-16(11-15)18(10-12(2)20-17)21-14-6-4-13(5-7-14)19(23)22-24/h4-11,24H,3H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyURLBTLJAJXTCEX-UHFFFAOYSA-N
XLogP3.80
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 25022707
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 169487812
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide?
The IUPAC name of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide (CID 176515048) is 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide is CCOc1ccc2nc(C)cc(Nc3ccc(C(=O)NO)cc3)c2c1.
What is the InChIKey of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide?
The InChIKey is URLBTLJAJXTCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-15-8-9-17-16(11-15)18(10-12(2)20-17)21-14-6-4-13(5-7-14)19(23)22-24/h4-11,24H,3H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide?
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide is sourced from PubChem (CID 176515048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).