5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid

C17H19N3O3 — CID 117219041

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H19N3O3/c1-11(2)20-15(13(10-18-20)17(22)23)16(21)19-9-5-7-12-6-3-4-8-14(12)19/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)
InChIKeyOKNQOTRTWZBYRA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.76
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 117219041) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID117219041
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCC(C)n1ncc(C(=O)O)c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H19N3O3/c1-11(2)20-15(13(10-18-20)17(22)23)16(21)19-9-5-7-12-6-3-4-8-14(12)19/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23)
InChIKeyOKNQOTRTWZBYRA-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 66121435
3,4-dihydro-2H-quinolin-1-yl-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55663997
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid (CID 117219041) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid is CC(C)n1ncc(C(=O)O)c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is OKNQOTRTWZBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(2)20-15(13(10-18-20)17(22)23)16(21)19-9-5-7-12-6-3-4-8-14(12)19/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H,22,23).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 117219041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).