3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid

C22H26N2O3 — CID 53491833

IUPAC3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2)14-17-13-16(21(25)26)5-8-19(17)23-20(22)15-3-6-18(7-4-15)24-9-11-27-12-10-24/h3-8,13,20,23H,9-12,14H2,1-2H3,(H,25,26)
InChIKeyJZXAENXIMDWBJA-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.96
Rot. Bonds3

About 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid

3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 53491833) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID53491833
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2)14-17-13-16(21(25)26)5-8-19(17)23-20(22)15-3-6-18(7-4-15)24-9-11-27-12-10-24/h3-8,13,20,23H,9-12,14H2,1-2H3,(H,25,26)
InChIKeyJZXAENXIMDWBJA-UHFFFAOYSA-N
XLogP3.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid with MolForge

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Related Compounds

3,3-dimethyl-2-(5-morpholin-4-yl-3-pyridinyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67443556
2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53492706
2-(4-anilinophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67458350
2-(3-fluoro-5-piperazin-1-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491832
3,3-dimethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67441802
2-(3-methoxy-5-morpholin-4-ylphenyl)-3,3-dimethyl-N-methylsulfonyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491763
2-(3-bromo-4-fluorophenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67464672
N-cyclopropylsulfonyl-2-(4-fluoro-3-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 53491693
3,3-dimethyl-2-[3-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476260
[3-(6-formyl-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-morpholin-4-ylphenyl] carbamate
CID 173494489
3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476233
6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
CID 53492179

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 53491833) is 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is JZXAENXIMDWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2)14-17-13-16(21(25)26)5-8-19(17)23-20(22)15-3-6-18(7-4-15)24-9-11-27-12-10-24/h3-8,13,20,23H,9-12,14H2,1-2H3,(H,25,26).
What are the key properties of 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid?
3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 53491833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).