4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid

C19H20N2O2 — CID 67762070

IUPAC4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid
SMILESCC1(C)CCNc2ccc(/C=N/c3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C19H20N2O2/c1-19(2)9-10-20-17-8-3-13(11-16(17)19)12-21-15-6-4-14(5-7-15)18(22)23/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,23)/b21-12+
InChIKeyWDZCEGBZVVGAOX-CIAFOILYSA-N
MW308.38 g/mol
LogP4.23
Rot. Bonds3

About 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid

4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid (PubChem CID 67762070) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid
PubChem CID67762070
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid
SMILESCC1(C)CCNc2ccc(/C=N/c3ccc(C(=O)O)cc3)cc21
InChIInChI=1S/C19H20N2O2/c1-19(2)9-10-20-17-8-3-13(11-16(17)19)12-21-15-6-4-14(5-7-15)18(22)23/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,23)/b21-12+
InChIKeyWDZCEGBZVVGAOX-CIAFOILYSA-N
XLogP4.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid (CID 67762070) is 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid is CC1(C)CCNc2ccc(/C=N/c3ccc(C(=O)O)cc3)cc21.
What is the InChIKey of 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid?
The InChIKey is WDZCEGBZVVGAOX-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2)9-10-20-17-8-3-13(11-16(17)19)12-21-15-6-4-14(5-7-15)18(22)23/h3-8,11-12,20H,9-10H2,1-2H3,(H,22,23)/b21-12+.
What are the key properties of 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid?
4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid has a molecular weight of 308.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)methylideneamino]benzoic acid is sourced from PubChem (CID 67762070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).