(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid

C15H19NO2 — CID 70159553

IUPAC(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid
SMILESC/C(=C/C(=O)O)c1ccc2c(c1)C(C)CCN2C
InChIInChI=1S/C15H19NO2/c1-10-6-7-16(3)14-5-4-12(9-13(10)14)11(2)8-15(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)/b11-8-
InChIKeyBXMCATZDDFTRHI-FLIBITNWSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds2

About (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid

(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid (PubChem CID 70159553) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid
PubChem CID70159553
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid
SMILESC/C(=C/C(=O)O)c1ccc2c(c1)C(C)CCN2C
InChIInChI=1S/C15H19NO2/c1-10-6-7-16(3)14-5-4-12(9-13(10)14)11(2)8-15(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)/b11-8-
InChIKeyBXMCATZDDFTRHI-FLIBITNWSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic 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

(Z)-3-(1,4,4-trimethyl-2,3-dihydroquinolin-6-yl)but-2-enoic acid
CID 18466750
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233
(E)-3-(3-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid
CID 18466743
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoic acid
CID 54052728
(E)-3-(4-formylphenyl)but-2-enoic acid
CID 135376045
1-[(4S)-6-[(4-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 142306913
1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 151935726
1-(5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246497
2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 83838175
(E)-3-(3-bromo-4-fluorophenyl)but-2-enoic acid
CID 166092218

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid?
The IUPAC name of (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid (CID 70159553) is (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid.
What is the SMILES notation for (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid?
The canonical SMILES for (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid is C/C(=C/C(=O)O)c1ccc2c(c1)C(C)CCN2C.
What is the InChIKey of (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid?
The InChIKey is BXMCATZDDFTRHI-FLIBITNWSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-6-7-16(3)14-5-4-12(9-13(10)14)11(2)8-15(17)18/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)/b11-8-.
What are the key properties of (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid?
(Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoic acid is sourced from PubChem (CID 70159553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).