N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C19H19N3O3 — CID 166319507

IUPACN-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1NCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-25-17-9-5-4-8-16(17)20-10-11-21-19(24)14-12-18(23)22-15-7-3-2-6-13(14)15/h2-9,12,20H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeySOEGYRVWNDVLCW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 166319507) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID166319507
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1NCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-25-17-9-5-4-8-16(17)20-10-11-21-19(24)14-12-18(23)22-15-7-3-2-6-13(14)15/h2-9,12,20H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeySOEGYRVWNDVLCW-UHFFFAOYSA-N
XLogP2.38
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56698870
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529842
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 166319507) is N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide is COc1ccccc1NCCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SOEGYRVWNDVLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-9-5-4-8-16(17)20-10-11-21-19(24)14-12-18(23)22-15-7-3-2-6-13(14)15/h2-9,12,20H,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166319507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).