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

C22H25FN2O3 — CID 53492179

IUPAC6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESCC1(C)Cc2c(ccc(F)c2C(=O)O)NC1c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-22(2)13-16-18(7-6-17(23)19(16)21(26)27)24-20(22)14-4-3-5-15(12-14)25-8-10-28-11-9-25/h3-7,12,20,24H,8-11,13H2,1-2H3,(H,26,27)
InChIKeySIEQJDLZQJQVTA-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.10
Rot. Bonds3

About 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid

6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid (PubChem CID 53492179) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
PubChem CID53492179
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid
SMILESCC1(C)Cc2c(ccc(F)c2C(=O)O)NC1c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-22(2)13-16-18(7-6-17(23)19(16)21(26)27)24-20(22)14-4-3-5-15(12-14)25-8-10-28-11-9-25/h3-7,12,20,24H,8-11,13H2,1-2H3,(H,26,27)
InChIKeySIEQJDLZQJQVTA-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The IUPAC name of 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid (CID 53492179) is 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The canonical SMILES for 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid is CC1(C)Cc2c(ccc(F)c2C(=O)O)NC1c1cccc(N2CCOCC2)c1.
What is the InChIKey of 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
The InChIKey is SIEQJDLZQJQVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-22(2)13-16-18(7-6-17(23)19(16)21(26)27)24-20(22)14-4-3-5-15(12-14)25-8-10-28-11-9-25/h3-7,12,20,24H,8-11,13H2,1-2H3,(H,26,27).
What are the key properties of 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid?
6-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 6-fluoro-3,3-dimethyl-2-(3-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-5-carboxylic acid is sourced from PubChem (CID 53492179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).