4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid

C20H20N4O3 — CID 7719304

IUPAC4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid
SMILESNc1ccc(Nc2c(C(=O)O)cnc3c(N4CCOCC4)cccc23)cc1
InChIInChI=1S/C20H20N4O3/c21-13-4-6-14(7-5-13)23-18-15-2-1-3-17(24-8-10-27-11-9-24)19(15)22-12-16(18)20(25)26/h1-7,12H,8-11,21H2,(H,22,23)(H,25,26)
InChIKeyUTQRZKFZMROUFF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.10
Rot. Bonds4

About 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid

4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid (PubChem CID 7719304) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid
PubChem CID7719304
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid
SMILESNc1ccc(Nc2c(C(=O)O)cnc3c(N4CCOCC4)cccc23)cc1
InChIInChI=1S/C20H20N4O3/c21-13-4-6-14(7-5-13)23-18-15-2-1-3-17(24-8-10-27-11-9-24)19(15)22-12-16(18)20(25)26/h1-7,12H,8-11,21H2,(H,22,23)(H,25,26)
InChIKeyUTQRZKFZMROUFF-UHFFFAOYSA-N
XLogP3.10
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
CID 7719257
4-[3-(diethylamino)phenoxy]-8-morpholin-4-ylquinoline-3-carboxylic acid
CID 7719287
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxylic acid
CID 90807881
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
CID 7719171
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
2-morpholin-4-ylbenzohydrazide
CID 7148386
3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1-benzothiophene-7-carboxamide
CID 24890644

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid?
The IUPAC name of 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid (CID 7719304) is 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid?
The canonical SMILES for 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid is Nc1ccc(Nc2c(C(=O)O)cnc3c(N4CCOCC4)cccc23)cc1.
What is the InChIKey of 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid?
The InChIKey is UTQRZKFZMROUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-13-4-6-14(7-5-13)23-18-15-2-1-3-17(24-8-10-27-11-9-24)19(15)22-12-16(18)20(25)26/h1-7,12H,8-11,21H2,(H,22,23)(H,25,26).
What are the key properties of 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid?
4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoanilino)-8-morpholin-4-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 7719304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).