1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid

C21H25N3O3 — CID 151935726

IUPAC1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCN1CCC(Nc2ccc(N3CCOCC3)cc2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C21H25N3O3/c1-23-9-8-19(18-14-15(21(25)26)2-7-20(18)23)22-16-3-5-17(6-4-16)24-10-12-27-13-11-24/h2-7,14,19,22H,8-13H2,1H3,(H,25,26)
InChIKeySZTBXPPUCDOSQN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.21
Rot. Bonds4

About 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 151935726) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID151935726
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCN1CCC(Nc2ccc(N3CCOCC3)cc2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C21H25N3O3/c1-23-9-8-19(18-14-15(21(25)26)2-7-20(18)23)22-16-3-5-17(6-4-16)24-10-12-27-13-11-24/h2-7,14,19,22H,8-13H2,1H3,(H,25,26)
InChIKeySZTBXPPUCDOSQN-UHFFFAOYSA-N
XLogP3.21
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25254949
6-[[1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]hexanoic acid
CID 90374048
4-[4-[[1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]phenyl]-2-methylbutanoic acid
CID 66634457
1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 58032147
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
3,3-dimethyl-2-(4-morpholin-4-ylphenyl)-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 53491833
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 151935726) is 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid is CN1CCC(Nc2ccc(N3CCOCC3)cc2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is SZTBXPPUCDOSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23-9-8-19(18-14-15(21(25)26)2-7-20(18)23)22-16-3-5-17(6-4-16)24-10-12-27-13-11-24/h2-7,14,19,22H,8-13H2,1H3,(H,25,26).
What are the key properties of 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 151935726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).