N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

C21H24N2O4 — CID 97254517

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESO=C1CCc2cc(OCCCC(=O)N[C@@H](CO)c3ccccc3)ccc2N1
InChIInChI=1S/C21H24N2O4/c24-14-19(15-5-2-1-3-6-15)23-20(25)7-4-12-27-17-9-10-18-16(13-17)8-11-21(26)22-18/h1-3,5-6,9-10,13,19,24H,4,7-8,11-12,14H2,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyXFLVMARITCDONB-IBGZPJMESA-N
MW368.43 g/mol
LogP2.58
Rot. Bonds8

About N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 97254517) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
PubChem CID97254517
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESO=C1CCc2cc(OCCCC(=O)N[C@@H](CO)c3ccccc3)ccc2N1
InChIInChI=1S/C21H24N2O4/c24-14-19(15-5-2-1-3-6-15)23-20(25)7-4-12-27-17-9-10-18-16(13-17)8-11-21(26)22-18/h1-3,5-6,9-10,13,19,24H,4,7-8,11-12,14H2,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyXFLVMARITCDONB-IBGZPJMESA-N
XLogP2.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-(2-amino-1-cyclopropylethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119615003
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
methyl (2R)-2-(2,4-difluorophenyl)-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]acetate
CID 97247312
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55678506
N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (CID 97254517) is N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is O=C1CCc2cc(OCCCC(=O)N[C@@H](CO)c3ccccc3)ccc2N1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is XFLVMARITCDONB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O4/c24-14-19(15-5-2-1-3-6-15)23-20(25)7-4-12-27-17-9-10-18-16(13-17)8-11-21(26)22-18/h1-3,5-6,9-10,13,19,24H,4,7-8,11-12,14H2,(H,22,26)(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 368.43 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 97254517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).