(4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H16BrN3O2 — CID 167878579

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCN(C(=O)c2c(Br)cnn2C)c2c(O)cccc21
InChIInChI=1S/C15H16BrN3O2/c1-9-6-7-19(13-10(9)4-3-5-12(13)20)15(21)14-11(16)8-17-18(14)2/h3-5,8-9,20H,6-7H2,1-2H3
InChIKeyKGRFCPXYBIFIOI-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.04
Rot. Bonds1

About (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 167878579) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID167878579
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCN(C(=O)c2c(Br)cnn2C)c2c(O)cccc21
InChIInChI=1S/C15H16BrN3O2/c1-9-6-7-19(13-10(9)4-3-5-12(13)20)15(21)14-11(16)8-17-18(14)2/h3-5,8-9,20H,6-7H2,1-2H3
InChIKeyKGRFCPXYBIFIOI-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35762905
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114640383
1-(4,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 128707688
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(4-bromo-1-methylpyrazol-5-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114670272
5-(4,8-dimethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 154765814
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
CID 114639897
(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754580
(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
CID 115814983
(4-bromo-1-methylpyrazol-5-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 114642817
[4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]-(4-bromo-1-methylpyrazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 167878579) is (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCN(C(=O)c2c(Br)cnn2C)c2c(O)cccc21.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KGRFCPXYBIFIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-9-6-7-19(13-10(9)4-3-5-12(13)20)15(21)14-11(16)8-17-18(14)2/h3-5,8-9,20H,6-7H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 350.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(8-hydroxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 167878579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).