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

C25H25N3O4S — CID 90534609

IUPACN-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C25H25N3O4S/c29-20(14-17-6-2-1-3-7-17)16-26-23(30)24(31)27-19-10-11-21-18(15-19)8-4-12-28(21)25(32)22-9-5-13-33-22/h1-3,5-7,9-11,13,15,20,29H,4,8,12,14,16H2,(H,26,30)(H,27,31)
InChIKeyFGIFVOHMTWUUFW-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.00
Rot. Bonds6

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

N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (PubChem CID 90534609) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
PubChem CID90534609
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESO=C(NCC(O)Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C25H25N3O4S/c29-20(14-17-6-2-1-3-7-17)16-26-23(30)24(31)27-19-10-11-21-18(15-19)8-4-12-28(21)25(32)22-9-5-13-33-22/h1-3,5-7,9-11,13,15,20,29H,4,8,12,14,16H2,(H,26,30)(H,27,31)
InChIKeyFGIFVOHMTWUUFW-UHFFFAOYSA-N
XLogP3.00
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71787892
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'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90599393
N-[(3-methoxythiolan-3-yl)methyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71804932
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
2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27444602
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]prop-2-ene-1-sulfonamide
CID 7498895
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
CID 7657511
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (CID 90534609) is N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is O=C(NCC(O)Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The InChIKey is FGIFVOHMTWUUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c29-20(14-17-6-2-1-3-7-17)16-26-23(30)24(31)27-19-10-11-21-18(15-19)8-4-12-28(21)25(32)22-9-5-13-33-22/h1-3,5-7,9-11,13,15,20,29H,4,8,12,14,16H2,(H,26,30)(H,27,31).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide has a molecular weight of 463.56 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is sourced from PubChem (CID 90534609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).