1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid

C16H17N3O3 — CID 19498626

IUPAC1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cn(C)nc1C(=O)O
InChIInChI=1S/C16H17N3O3/c1-10-5-6-13-11(8-10)4-3-7-19(13)15(20)12-9-18(2)17-14(12)16(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyMYNJYXBXNCJMSP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.02
Rot. Bonds2

About 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid

1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid (PubChem CID 19498626) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
PubChem CID19498626
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cn(C)nc1C(=O)O
InChIInChI=1S/C16H17N3O3/c1-10-5-6-13-11(8-10)4-3-7-19(13)15(20)12-9-18(2)17-14(12)16(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyMYNJYXBXNCJMSP-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124
(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095
3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 103337008
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
(4-amino-1-methylpyrrol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642979
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63109770
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 55490174
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597702
2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19504620

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid (CID 19498626) is 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid is Cc1ccc2c(c1)CCCN2C(=O)c1cn(C)nc1C(=O)O.
What is the InChIKey of 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid?
The InChIKey is MYNJYXBXNCJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-5-6-13-11(8-10)4-3-7-19(13)15(20)12-9-18(2)17-14(12)16(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid?
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19498626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).