2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid

C17H19N3O3 — CID 19504620

IUPAC2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C17H19N3O3/c1-11-5-6-15-13(8-11)4-3-7-19(15)16(21)14-9-18-20(10-14)12(2)17(22)23/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyJBLMWNXMJVVJIL-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.43
Rot. Bonds3

About 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid

2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19504620) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19504620
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C17H19N3O3/c1-11-5-6-15-13(8-11)4-3-7-19(15)16(21)14-9-18-20(10-14)12(2)17(22)23/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyJBLMWNXMJVVJIL-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662
[4-(difluoromethylsulfonyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083698
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid (CID 19504620) is 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid is Cc1ccc2c(c1)CCCN2C(=O)c1cnn(C(C)C(=O)O)c1.
What is the InChIKey of 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is JBLMWNXMJVVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-5-6-15-13(8-11)4-3-7-19(15)16(21)14-9-18-20(10-14)12(2)17(22)23/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid?
2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).