4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid

C23H24N2O3 — CID 91209750

IUPAC4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc(N(C)C)c3ccccc23)C2C(=O)CCCC2=N1
InChIInChI=1S/C23H24N2O3/c1-13-20(23(27)28)21(22-17(24-13)9-6-10-19(22)26)16-11-12-18(25(2)3)15-8-5-4-7-14(15)16/h4-5,7-8,11-12,21-22H,6,9-10H2,1-3H3,(H,27,28)
InChIKeyAFNAESRUUGKJMT-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.17
Rot. Bonds3

About 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid

4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (PubChem CID 91209750) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid
PubChem CID91209750
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid
SMILESCC1=C(C(=O)O)C(c2ccc(N(C)C)c3ccccc23)C2C(=O)CCCC2=N1
InChIInChI=1S/C23H24N2O3/c1-13-20(23(27)28)21(22-17(24-13)9-6-10-19(22)26)16-11-12-18(25(2)3)15-8-5-4-7-14(15)16/h4-5,7-8,11-12,21-22H,6,9-10H2,1-3H3,(H,27,28)
InChIKeyAFNAESRUUGKJMT-UHFFFAOYSA-N
XLogP4.17
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (CID 91209750) is 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid is CC1=C(C(=O)O)C(c2ccc(N(C)C)c3ccccc23)C2C(=O)CCCC2=N1.
What is the InChIKey of 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid?
The InChIKey is AFNAESRUUGKJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-13-20(23(27)28)21(22-17(24-13)9-6-10-19(22)26)16-11-12-18(25(2)3)15-8-5-4-7-14(15)16/h4-5,7-8,11-12,21-22H,6,9-10H2,1-3H3,(H,27,28).
What are the key properties of 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid?
4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)naphthalen-1-yl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid is sourced from PubChem (CID 91209750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).