1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one

C19H18N2O2 — CID 10357805

IUPAC1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C
InChIInChI=1S/C19H18N2O2/c1-3-16(22)14-11-20-19-13(8-6-10-17(19)23)18(14)21-15-9-5-4-7-12(15)2/h4-11,23H,3H2,1-2H3,(H,20,21)
InChIKeyUWAKOEGNCWOGOU-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.59
Rot. Bonds4

About 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one

1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one (PubChem CID 10357805) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one
PubChem CID10357805
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C
InChIInChI=1S/C19H18N2O2/c1-3-16(22)14-11-20-19-13(8-6-10-17(19)23)18(14)21-15-9-5-4-7-12(15)2/h4-11,23H,3H2,1-2H3,(H,20,21)
InChIKeyUWAKOEGNCWOGOU-UHFFFAOYSA-N
XLogP4.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Quinolinol, benzoate (1:1)
CID 62626
ML324
CID 44143209
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
1-[8-(2-Hydroxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 9887258
Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-
CID 95307
4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
CID 219564
(3-Benzylphenyl)(8-hydroxyquinolin-7-yl)methanone
CID 463001
2-{3-[4-(5-Hydroxypyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11617480
2-[3-(3-hydroxyphenyl)phenyl]-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494801
n-[(8-Hydroxyquinolin-7-yl)(phenyl)methyl]benzamide
CID 2871881
N-[(8-Hydroxyquinolin-7-YL)(4-methylphenyl)methyl]benzamide
CID 2871966
4-[(E)-(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid
CID 135829861

Frequently Asked Questions

What is the IUPAC name of 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
The IUPAC name of 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one (CID 10357805) is 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one.
What is the SMILES notation for 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
The canonical SMILES for 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one is CCC(=O)c1cnc2c(O)cccc2c1Nc1ccccc1C.
What is the InChIKey of 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
The InChIKey is UWAKOEGNCWOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-16(22)14-11-20-19-13(8-6-10-17(19)23)18(14)21-15-9-5-4-7-12(15)2/h4-11,23H,3H2,1-2H3,(H,20,21).
What are the key properties of 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one?
1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one has a molecular weight of 306.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-hydroxy-4-(2-methylanilino)quinolin-3-yl]propan-1-one is sourced from PubChem (CID 10357805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).