N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide

C23H20N2O2S — CID 1084516

IUPACN-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H](c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H20N2O2S/c26-20(13-10-16-6-2-1-3-7-16)25-22(19-9-5-15-28-19)18-12-11-17-8-4-14-24-21(17)23(18)27/h1-9,11-12,14-15,22,27H,10,13H2,(H,25,26)/t22-/m1/s1
InChIKeyWFKOFHFTIBUSFS-JOCHJYFZSA-N
MW388.49 g/mol
LogP4.84
Rot. Bonds6

About N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide

N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide (PubChem CID 1084516) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
PubChem CID1084516
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H](c1cccs1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H20N2O2S/c26-20(13-10-16-6-2-1-3-7-16)25-22(19-9-5-15-28-19)18-12-11-17-8-4-14-24-21(17)23(18)27/h1-9,11-12,14-15,22,27H,10,13H2,(H,25,26)/t22-/m1/s1
InChIKeyWFKOFHFTIBUSFS-JOCHJYFZSA-N
XLogP4.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
CID 2876998
7-[(pyridin-1-ium-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 3625041
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
7-[thiophen-2-yl-[2-(trifluoromethyl)anilino]methyl]quinolin-8-ol
CID 19232908
N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
methyl 4-[2-(8-hydroxyquinolin-7-yl)-2-thiophen-2-ylethyl]benzoate
CID 58542834
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
7-[(3-methylanilino)-thiophen-2-ylmethyl]quinolin-8-ol
CID 19232874
2-ethoxyethyl 4-[[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]amino]benzoate
CID 19233065
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide?
The IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide (CID 1084516) is N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide?
The InChIKey is WFKOFHFTIBUSFS-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-20(13-10-16-6-2-1-3-7-16)25-22(19-9-5-15-28-19)18-12-11-17-8-4-14-24-21(17)23(18)27/h1-9,11-12,14-15,22,27H,10,13H2,(H,25,26)/t22-/m1/s1.
What are the key properties of N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide?
N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide has a molecular weight of 388.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-3-phenylpropanamide is sourced from PubChem (CID 1084516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).