3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline

C19H16N2O2 — CID 170553291

IUPAC3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
SMILESCc1[nH]c2ccccc2c(=O)c1O.c1ccc2ncccc2c1
InChIInChI=1S/C10H9NO2.C9H7N/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,12H,1H3,(H,11,13);1-7H
InChIKeyNQBVHPJEUJSGOF-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.78
Rot. Bonds

About 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline

3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline (PubChem CID 170553291) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
PubChem CID170553291
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
SMILESCc1[nH]c2ccccc2c(=O)c1O.c1ccc2ncccc2c1
InChIInChI=1S/C10H9NO2.C9H7N/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,12H,1H3,(H,11,13);1-7H
InChIKeyNQBVHPJEUJSGOF-UHFFFAOYSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

quinoline;2,3,4-trimethyl-1H-indole
CID 159387444
1-methyl-2H-isoindole;quinoline
CID 158130411
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892
ethane;methanol;quinoline
CID 90686502
tetrakis(benzene-1,4-diol);quinoline
CID 174523855
quinoline
CID 76974643
acetic acid;quinoline
CID 67159702
carbonic acid;quinoline
CID 23206844
4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid
CID 135974865
quinoline;tetramethylsilane
CID 91292784
2-(3-hydroxythieno[2,3-b]pyridin-2-yl)-3-methylquinazolin-4-one
CID 135907111
CID 159709187
CID 159709187

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline?
The IUPAC name of 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline (CID 170553291) is 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline.
What is the SMILES notation for 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline?
The canonical SMILES for 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline is Cc1[nH]c2ccccc2c(=O)c1O.c1ccc2ncccc2c1.
What is the InChIKey of 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline?
The InChIKey is NQBVHPJEUJSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C9H7N/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,12H,1H3,(H,11,13);1-7H.
What are the key properties of 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline?
3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline has a molecular weight of 304.35 g/mol, XLogP of 3.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline is sourced from PubChem (CID 170553291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).