3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide

C19H18N2O3 — CID 84578370

IUPAC3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide
SMILESCC(Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H18N2O3/c1-12(10-13-7-8-16(22)17(23)11-13)19(24)21-15-6-2-4-14-5-3-9-20-18(14)15/h2-9,11-12,22-23H,10H2,1H3,(H,21,24)
InChIKeyLOEVOOXPZIPESZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.46
Rot. Bonds4

About 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide

3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide (PubChem CID 84578370) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide
PubChem CID84578370
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide
SMILESCC(Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C19H18N2O3/c1-12(10-13-7-8-16(22)17(23)11-13)19(24)21-15-6-2-4-14-5-3-9-20-18(14)15/h2-9,11-12,22-23H,10H2,1H3,(H,21,24)
InChIKeyLOEVOOXPZIPESZ-UHFFFAOYSA-N
XLogP3.46
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
3-(3,4-dihydroxyphenyl)-2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 112521695
1-quinolin-8-yl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871921
(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
(2S)-2-(3-methylphenoxy)-N-quinolin-8-ylpropanamide
CID 8781732

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide (CID 84578370) is 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide is CC(Cc1ccc(O)c(O)c1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide?
The InChIKey is LOEVOOXPZIPESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(10-13-7-8-16(22)17(23)11-13)19(24)21-15-6-2-4-14-5-3-9-20-18(14)15/h2-9,11-12,22-23H,10H2,1H3,(H,21,24).
What are the key properties of 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide?
3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide has a molecular weight of 322.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 84578370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).