3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

C19H25N3O2 — CID 167943243

IUPAC3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
SMILESCn1cc(CCCN2CC(CCC(=O)O)Cc3ccccc32)cn1
InChIInChI=1S/C19H25N3O2/c1-21-13-16(12-20-21)5-4-10-22-14-15(8-9-19(23)24)11-17-6-2-3-7-18(17)22/h2-3,6-7,12-13,15H,4-5,8-11,14H2,1H3,(H,23,24)
InChIKeyXULXLXOEGCVNQY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.90
Rot. Bonds7

About 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid (PubChem CID 167943243) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
PubChem CID167943243
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
SMILESCn1cc(CCCN2CC(CCC(=O)O)Cc3ccccc32)cn1
InChIInChI=1S/C19H25N3O2/c1-21-13-16(12-20-21)5-4-10-22-14-15(8-9-19(23)24)11-17-6-2-3-7-18(17)22/h2-3,6-7,12-13,15H,4-5,8-11,14H2,1H3,(H,23,24)
InChIKeyXULXLXOEGCVNQY-UHFFFAOYSA-N
XLogP2.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic 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

3-[1-[(1-methyl-5-oxo-4H-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028735
3-[1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028704
1-[3-(1-methylpyrazol-4-yl)propanoyl]-3,4-dihydro-2H-quinoline-3-carboxamide
CID 138995763
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028697
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008155
7-(1-methylpyrazol-4-yl)heptan-3-one
CID 103015822
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine
CID 126841891

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid (CID 167943243) is 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid is Cn1cc(CCCN2CC(CCC(=O)O)Cc3ccccc32)cn1.
What is the InChIKey of 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The InChIKey is XULXLXOEGCVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-13-16(12-20-21)5-4-10-22-14-15(8-9-19(23)24)11-17-6-2-3-7-18(17)22/h2-3,6-7,12-13,15H,4-5,8-11,14H2,1H3,(H,23,24).
What are the key properties of 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid has a molecular weight of 327.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1-methylpyrazol-4-yl)propyl]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid is sourced from PubChem (CID 167943243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).