1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one

C20H20N2O2 — CID 10426158

IUPAC1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(O)cccc2c1Nc1c(C)cccc1C
InChIInChI=1S/C20H20N2O2/c1-4-16(23)15-11-21-20-14(9-6-10-17(20)24)19(15)22-18-12(2)7-5-8-13(18)3/h5-11,24H,4H2,1-3H3,(H,21,22)
InChIKeyVRQBPNRXIRLQTC-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.89
Rot. Bonds4

About 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one

1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one (PubChem CID 10426158) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one
PubChem CID10426158
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2c(O)cccc2c1Nc1c(C)cccc1C
InChIInChI=1S/C20H20N2O2/c1-4-16(23)15-11-21-20-14(9-6-10-17(20)24)19(15)22-18-12(2)7-5-8-13(18)3/h5-11,24H,4H2,1-3H3,(H,21,22)
InChIKeyVRQBPNRXIRLQTC-UHFFFAOYSA-N
XLogP4.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[8-amino-4-(2,6-dimethylanilino)quinolin-3-yl]butan-1-one
CID 10449501
1-[8-methyl-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10336037
1-[4-(2,6-dimethylanilino)-8-(2-methylsulfonylethoxy)quinolin-3-yl]butan-1-one
CID 54074446
ethyl 4-[3-butanoyl-4-(2,6-dimethylanilino)quinolin-8-yl]oxybutanoate
CID 10253105
ethyl 8-chloro-4-(2-ethyl-6-methylanilino)quinoline-3-carboxylate
CID 23733695
1-[4-(2-methylanilino)-8-(3-propylsulfanylpropoxy)quinolin-3-yl]propan-1-one
CID 54548203
1-[4-(2-methoxyanilino)-8-methylquinolin-3-yl]butan-1-one
CID 10246288
1-[8-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10384904
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
1-[8-(3-hydroxypropyl)-4-(2-methylanilino)quinolin-3-yl]butan-1-one
CID 10090049
1-[4-(2,4-dimethoxyanilino)-8-methylquinolin-3-yl]butan-1-one;hydrochloride
CID 21274554

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one?
The IUPAC name of 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one (CID 10426158) is 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one is CCC(=O)c1cnc2c(O)cccc2c1Nc1c(C)cccc1C.
What is the InChIKey of 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one?
The InChIKey is VRQBPNRXIRLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-16(23)15-11-21-20-14(9-6-10-17(20)24)19(15)22-18-12(2)7-5-8-13(18)3/h5-11,24H,4H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one?
1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylanilino)-8-hydroxyquinolin-3-yl]propan-1-one is sourced from PubChem (CID 10426158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).