N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide

C27H29N3O4S — CID 121112407

IUPACN-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESO=C(NCCC(CCO)c1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C27H29N3O4S/c31-16-13-20(19-6-2-1-3-7-19)12-14-28-25(32)26(33)29-22-10-11-23-21(18-22)8-4-15-30(23)27(34)24-9-5-17-35-24/h1-3,5-7,9-11,17-18,20,31H,4,8,12-16H2,(H,28,32)(H,29,33)
InChIKeyNHGVWVKVJADZMS-UHFFFAOYSA-N
MW491.61 g/mol
LogP3.95
Rot. Bonds8

About N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide

N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (PubChem CID 121112407) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.

Molecular Properties

Compound NameN-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
PubChem CID121112407
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESO=C(NCCC(CCO)c1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C27H29N3O4S/c31-16-13-20(19-6-2-1-3-7-19)12-14-28-25(32)26(33)29-22-10-11-23-21(18-22)8-4-15-30(23)27(34)24-9-5-17-35-24/h1-3,5-7,9-11,17-18,20,31H,4,8,12-16H2,(H,28,32)(H,29,33)
InChIKeyNHGVWVKVJADZMS-UHFFFAOYSA-N
XLogP3.95
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 53.95
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-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90534609
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-oxo-2-[[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]amino]ethyl] 2,2-dimethylpropanoate
CID 7498699
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
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
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
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

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The IUPAC name of N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (CID 121112407) is N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.
What is the SMILES notation for N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The canonical SMILES for N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is O=C(NCCC(CCO)c1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The InChIKey is NHGVWVKVJADZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c31-16-13-20(19-6-2-1-3-7-19)12-14-28-25(32)26(33)29-22-10-11-23-21(18-22)8-4-15-30(23)27(34)24-9-5-17-35-24/h1-3,5-7,9-11,17-18,20,31H,4,8,12-16H2,(H,28,32)(H,29,33).
What are the key properties of N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide has a molecular weight of 491.61 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is sourced from PubChem (CID 121112407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).