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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Related Compounds

6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
6-chloro-3-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643779
4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
CID 4591823
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 16643744
8-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643755
6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643787
2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid
CID 14498148
[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 31223639
6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
CID 62631969
7-chloro-N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786545

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).