7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid

C22H25FN2O3 — CID 53492180

IUPAC7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESCC1(C)Cc2c(cc(F)cc2C(=O)O)NC1c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-22(2)13-18-17(21(26)27)11-15(23)12-19(18)24-20(22)14-4-3-5-16(10-14)25-6-8-28-9-7-25/h3-5,10-12,20,24H,6-9,13H2,1-2H3,(H,26,27)
InChIKeyQJRNGCHZBYIAQT-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.10
Rot. Bonds3

About 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid

7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid (PubChem CID 53492180) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
PubChem CID53492180
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESCC1(C)Cc2c(cc(F)cc2C(=O)O)NC1c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-22(2)13-18-17(21(26)27)11-15(23)12-19(18)24-20(22)14-4-3-5-16(10-14)25-6-8-28-9-7-25/h3-5,10-12,20,24H,6-9,13H2,1-2H3,(H,26,27)
InChIKeyQJRNGCHZBYIAQT-UHFFFAOYSA-N
XLogP4.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid with MolForge

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Related Compounds

6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
CID 53492179
methyl 8-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylate
CID 67442498
6-fluoro-3,3-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2,4-dihydro-1H-quinoline-8-carboxylic acid
CID 53492038
methyl 2-(3-bromophenyl)-7-fluoro-3,3-dimethyl-2,4-dihydro-1H-quinoline-5-carboxylate
CID 67441593
methyl 8-chloro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylate
CID 67442597
3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491833
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-(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
4-(3-piperidin-4-ylphenyl)morpholine
CID 117368717
2-[3-(2,6-dimethylmorpholin-4-yl)phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxamide
CID 71143292

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The IUPAC name of 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid (CID 53492180) is 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid.
What is the SMILES notation for 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The canonical SMILES for 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid is CC1(C)Cc2c(cc(F)cc2C(=O)O)NC1c1cccc(N2CCOCC2)c1.
What is the InChIKey of 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The InChIKey is QJRNGCHZBYIAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-22(2)13-18-17(21(26)27)11-15(23)12-19(18)24-20(22)14-4-3-5-16(10-14)25-6-8-28-9-7-25/h3-5,10-12,20,24H,6-9,13H2,1-2H3,(H,26,27).
What are the key properties of 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid has a molecular weight of 384.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid is sourced from PubChem (CID 53492180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).