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

C22H25FN2O3 — CID 53492706

IUPAC2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1cc(N2CCOCC2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-22(2)13-15-11-14(21(26)27)3-6-19(15)24-20(22)17-12-16(4-5-18(17)23)25-7-9-28-10-8-25/h3-6,11-12,20,24H,7-10,13H2,1-2H3,(H,26,27)
InChIKeySTWLCBZXOGHSAR-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.10
Rot. Bonds3

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

2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (PubChem CID 53492706) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
PubChem CID53492706
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
SMILESCC1(C)Cc2cc(C(=O)O)ccc2NC1c1cc(N2CCOCC2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-22(2)13-15-11-14(21(26)27)3-6-19(15)24-20(22)17-12-16(4-5-18(17)23)25-7-9-28-10-8-25/h3-6,11-12,20,24H,7-10,13H2,1-2H3,(H,26,27)
InChIKeySTWLCBZXOGHSAR-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 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid (CID 53492706) is 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cc(N2CCOCC2)ccc1F.
What is the InChIKey of 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
The InChIKey is STWLCBZXOGHSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-22(2)13-15-11-14(21(26)27)3-6-19(15)24-20(22)17-12-16(4-5-18(17)23)25-7-9-28-10-8-25/h3-6,11-12,20,24H,7-10,13H2,1-2H3,(H,26,27).
What are the key properties of 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid?
2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-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 2-(2-fluoro-5-morpholin-4-ylphenyl)-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 53492706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).