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

C23H23N3O4S2 — CID 71787892

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESO=C(NCCC(O)c1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C23H23N3O4S2/c27-18(19-5-2-12-31-19)9-10-24-21(28)22(29)25-16-7-8-17-15(14-16)4-1-11-26(17)23(30)20-6-3-13-32-20/h2-3,5-8,12-14,18,27H,1,4,9-11H2,(H,24,28)(H,25,29)
InChIKeyARQRZLGGIJRQKM-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.58
Rot. Bonds6

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

N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (PubChem CID 71787892) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
PubChem CID71787892
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
SMILESO=C(NCCC(O)c1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C23H23N3O4S2/c27-18(19-5-2-12-31-19)9-10-24-21(28)22(29)25-16-7-8-17-15(14-16)4-1-11-26(17)23(30)20-6-3-13-32-20/h2-3,5-8,12-14,18,27H,1,4,9-11H2,(H,24,28)(H,25,29)
InChIKeyARQRZLGGIJRQKM-UHFFFAOYSA-N
XLogP3.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-3-phenylpentyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 121112407
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
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
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
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-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide (CID 71787892) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is O=C(NCCC(O)c1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
The InChIKey is ARQRZLGGIJRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c27-18(19-5-2-12-31-19)9-10-24-21(28)22(29)25-16-7-8-17-15(14-16)4-1-11-26(17)23(30)20-6-3-13-32-20/h2-3,5-8,12-14,18,27H,1,4,9-11H2,(H,24,28)(H,25,29).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide has a molecular weight of 469.59 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide is sourced from PubChem (CID 71787892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).