N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide

C26H26FN3O4S — CID 90599393

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C26H26FN3O4S/c1-26(34-2,19-8-3-4-9-20(19)27)16-28-23(31)24(32)29-18-11-12-21-17(15-18)7-5-13-30(21)25(33)22-10-6-14-35-22/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDTXJOQJMQMNZOO-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (PubChem CID 90599393) has the molecular formula C26H26FN3O4S and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
PubChem CID90599393
Molecular FormulaC26H26FN3O4S
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C26H26FN3O4S/c1-26(34-2,19-8-3-4-9-20(19)27)16-28-23(31)24(32)29-18-11-12-21-17(15-18)7-5-13-30(21)25(33)22-10-6-14-35-22/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDTXJOQJMQMNZOO-UHFFFAOYSA-N
XLogP4.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 90599391
N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90534609
N'-(3,4-difluorophenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 90599351
N-[(3-methoxythiolan-3-yl)methyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71804932
2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27444602
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71787892
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
[2-oxo-2-[[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]amino]ethyl] 2,2-dimethylpropanoate
CID 7498699
N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 121112407
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
CID 7657511

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (CID 90599393) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is COC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The InChIKey is DTXJOQJMQMNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S/c1-26(34-2,19-8-3-4-9-20(19)27)16-28-23(31)24(32)29-18-11-12-21-17(15-18)7-5-13-30(21)25(33)22-10-6-14-35-22/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide has a molecular weight of 495.58 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is sourced from PubChem (CID 90599393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).