4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid

C24H27N3O4 — CID 7719287

IUPAC4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid
SMILESCCN(CC)c1cccc(Oc2c(C(=O)O)cnc3c(N4CCOCC4)cccc23)c1
InChIInChI=1S/C24H27N3O4/c1-3-26(4-2)17-7-5-8-18(15-17)31-23-19-9-6-10-21(27-11-13-30-14-12-27)22(19)25-16-20(23)24(28)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,28,29)
InChIKeyAAHLGSOWXBREEC-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.41
Rot. Bonds7

About 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid

4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid (PubChem CID 7719287) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid
PubChem CID7719287
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid
SMILESCCN(CC)c1cccc(Oc2c(C(=O)O)cnc3c(N4CCOCC4)cccc23)c1
InChIInChI=1S/C24H27N3O4/c1-3-26(4-2)17-7-5-8-18(15-17)31-23-19-9-6-10-21(27-11-13-30-14-12-27)22(19)25-16-20(23)24(28)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,28,29)
InChIKeyAAHLGSOWXBREEC-UHFFFAOYSA-N
XLogP4.41
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid
CID 7719304
4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
CID 7719257
N-ethyl-N-(3-methylphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360307
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
4-[(3-chlorophenoxy)methyl]-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 75538620
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid
CID 123941958
N-ethyl-N-[(3-methylimidazol-4-yl)methyl]-3-(2-morpholin-4-ylethoxy)aniline
CID 46967331
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid?
The IUPAC name of 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid (CID 7719287) is 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid?
The canonical SMILES for 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid is CCN(CC)c1cccc(Oc2c(C(=O)O)cnc3c(N4CCOCC4)cccc23)c1.
What is the InChIKey of 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid?
The InChIKey is AAHLGSOWXBREEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-26(4-2)17-7-5-8-18(15-17)31-23-19-9-6-10-21(27-11-13-30-14-12-27)22(19)25-16-20(23)24(28)29/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,28,29).
What are the key properties of 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid?
4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 7719287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).