N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide

C20H20N2O3 — CID 110001393

IUPACN-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
SMILESCOc1ccc2nc(C)cc(C(=O)NC(CO)c3ccccc3)c2c1
InChIInChI=1S/C20H20N2O3/c1-13-10-17(16-11-15(25-2)8-9-18(16)21-13)20(24)22-19(12-23)14-6-4-3-5-7-14/h3-11,19,23H,12H2,1-2H3,(H,22,24)
InChIKeyGYERVNNVVPOIFV-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.02
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide

N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide (PubChem CID 110001393) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
PubChem CID110001393
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
SMILESCOc1ccc2nc(C)cc(C(=O)NC(CO)c3ccccc3)c2c1
InChIInChI=1S/C20H20N2O3/c1-13-10-17(16-11-15(25-2)8-9-18(16)21-13)20(24)22-19(12-23)14-6-4-3-5-7-14/h3-11,19,23H,12H2,1-2H3,(H,22,24)
InChIKeyGYERVNNVVPOIFV-UHFFFAOYSA-N
XLogP3.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-phenoxyacetohydrazide
CID 3168483
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide (CID 110001393) is N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide is COc1ccc2nc(C)cc(C(=O)NC(CO)c3ccccc3)c2c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide?
The InChIKey is GYERVNNVVPOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-17(16-11-15(25-2)8-9-18(16)21-13)20(24)22-19(12-23)14-6-4-3-5-7-14/h3-11,19,23H,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide?
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110001393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).