N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide

C20H19N3O3 — CID 95622532

IUPACN'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
SMILESCC[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C20H19N3O3/c1-2-16(15-8-4-6-10-18(15)24)23-20(26)19(25)22-14-11-13-7-3-5-9-17(13)21-12-14/h3-12,16,24H,2H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyDSYCMCSZZGGBSF-MRXNPFEDSA-N
MW349.39 g/mol
LogP3.15
Rot. Bonds4

About N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide

N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide (PubChem CID 95622532) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
PubChem CID95622532
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
SMILESCC[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O
InChIInChI=1S/C20H19N3O3/c1-2-16(15-8-4-6-10-18(15)24)23-20(26)19(25)22-14-11-13-7-3-5-9-17(13)21-12-14/h3-12,16,24H,2H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyDSYCMCSZZGGBSF-MRXNPFEDSA-N
XLogP3.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
CID 95622531
N'-[1-(2,4-difluorophenyl)ethyl]-N-quinolin-3-yloxamide
CID 56798091
N'-[1-(5-chlorothiophen-2-yl)ethyl]-N-quinolin-3-yloxamide
CID 87039641
methyl N-quinolin-3-ylcarbamate
CID 19697860
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
4-methylsulfanyl-2-(propanoylamino)-N-quinolin-3-ylbutanamide
CID 60523118
[1-naphthalen-1-yl-2-oxo-2-(quinolin-3-ylamino)ethyl]phosphonic acid
CID 66872024
N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide
CID 10708979
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide?
The IUPAC name of N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide (CID 95622532) is N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide.
What is the SMILES notation for N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide?
The canonical SMILES for N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide is CC[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O.
What is the InChIKey of N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide?
The InChIKey is DSYCMCSZZGGBSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-16(15-8-4-6-10-18(15)24)23-20(26)19(25)22-14-11-13-7-3-5-9-17(13)21-12-14/h3-12,16,24H,2H2,1H3,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide?
N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide has a molecular weight of 349.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide is sourced from PubChem (CID 95622532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).