2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C21H19N3O3 — CID 131904231

IUPAC2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCOc2cccc3cccnc23)c2ccccc2N1
InChIInChI=1S/C21H19N3O3/c25-19-13-16(15-7-1-2-8-17(15)24-19)21(26)23-11-12-27-18-9-3-5-14-6-4-10-22-20(14)18/h1-10,16H,11-13H2,(H,23,26)(H,24,25)
InChIKeyPRYLBVIRNPNLTC-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.86
Rot. Bonds5

About 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 131904231) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID131904231
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCOc2cccc3cccnc23)c2ccccc2N1
InChIInChI=1S/C21H19N3O3/c25-19-13-16(15-7-1-2-8-17(15)24-19)21(26)23-11-12-27-18-9-3-5-14-6-4-10-22-20(14)18/h1-10,16H,11-13H2,(H,23,26)(H,24,25)
InChIKeyPRYLBVIRNPNLTC-UHFFFAOYSA-N
XLogP2.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55747326
N-[2-(methylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119503581
(2S)-N-(2-quinolin-8-yloxyethyl)-1,4-dioxane-2-carboxamide
CID 125176289
(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94613605
N-[2-(2-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46418891
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
(4S)-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97083310
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 131904231) is 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCOc2cccc3cccnc23)c2ccccc2N1.
What is the InChIKey of 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is PRYLBVIRNPNLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19-13-16(15-7-1-2-8-17(15)24-19)21(26)23-11-12-27-18-9-3-5-14-6-4-10-22-20(14)18/h1-10,16H,11-13H2,(H,23,26)(H,24,25).
What are the key properties of 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 131904231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).