4-anilino-8-morpholin-4-ylquinoline-3-carboxylate

C20H18N3O3- — CID 7719257

IUPAC4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
SMILESO=C([O-])c1cnc2c(N3CCOCC3)cccc2c1Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-20(25)16-13-21-19-15(18(16)22-14-5-2-1-3-6-14)7-4-8-17(19)23-9-11-26-12-10-23/h1-8,13H,9-12H2,(H,21,22)(H,24,25)/p-1
InChIKeyNKXJXANEDBQVJT-UHFFFAOYSA-M
MW348.38 g/mol
LogP2.18
Rot. Bonds4

About 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate

4-anilino-8-morpholin-4-ylquinoline-3-carboxylate (PubChem CID 7719257) has the molecular formula C20H18N3O3- and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate.

Molecular Properties

Compound Name4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
PubChem CID7719257
Molecular FormulaC20H18N3O3-
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
SMILESO=C([O-])c1cnc2c(N3CCOCC3)cccc2c1Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c24-20(25)16-13-21-19-15(18(16)22-14-5-2-1-3-6-14)7-4-8-17(19)23-9-11-26-12-10-23/h1-8,13H,9-12H2,(H,21,22)(H,24,25)/p-1
InChIKeyNKXJXANEDBQVJT-UHFFFAOYSA-M
XLogP2.18
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.18
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
2-methyl-4-(2-morpholin-4-ylanilino)quinoline-8-carboxylate
CID 7138180
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid
CID 7719287
6-anilino-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109126611
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 10029643
2-morpholin-4-ylbenzohydrazide
CID 7148386
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485

Frequently Asked Questions

What is the IUPAC name of 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate?
The IUPAC name of 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate (CID 7719257) is 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate.
What is the SMILES notation for 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate?
The canonical SMILES for 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate is O=C([O-])c1cnc2c(N3CCOCC3)cccc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate?
The InChIKey is NKXJXANEDBQVJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19N3O3/c24-20(25)16-13-21-19-15(18(16)22-14-5-2-1-3-6-14)7-4-8-17(19)23-9-11-26-12-10-23/h1-8,13H,9-12H2,(H,21,22)(H,24,25)/p-1.
What are the key properties of 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate?
4-anilino-8-morpholin-4-ylquinoline-3-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-8-morpholin-4-ylquinoline-3-carboxylate is sourced from PubChem (CID 7719257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).