6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid

C21H19ClN2O3 — CID 16643776

IUPAC6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2N2CCOCC2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-13-2-4-14(5-3-13)19-20(24-8-10-27-11-9-24)18(21(25)26)16-12-15(22)6-7-17(16)23-19/h2-7,12H,8-11H2,1H3,(H,25,26)
InChIKeyCKJMMEMJQNCRGB-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid

6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid (PubChem CID 16643776) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
PubChem CID16643776
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2N2CCOCC2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-13-2-4-14(5-3-13)19-20(24-8-10-27-11-9-24)18(21(25)26)16-12-15(22)6-7-17(16)23-19/h2-7,12H,8-11H2,1H3,(H,25,26)
InChIKeyCKJMMEMJQNCRGB-UHFFFAOYSA-N
XLogP4.40
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid (CID 16643776) is 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)O)c2N2CCOCC2)cc1.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid?
The InChIKey is CKJMMEMJQNCRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-13-2-4-14(5-3-13)19-20(24-8-10-27-11-9-24)18(21(25)26)16-12-15(22)6-7-17(16)23-19/h2-7,12H,8-11H2,1H3,(H,25,26).
What are the key properties of 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid?
6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid has a molecular weight of 382.85 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 16643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).