4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid

C17H19F3N4O3 — CID 66977902

IUPAC4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C(F)(F)F)nc(NCCCN3CCOCC3)c2c1
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)16-22-13-3-2-11(15(25)26)10-12(13)14(23-16)21-4-1-5-24-6-8-27-9-7-24/h2-3,10H,1,4-9H2,(H,25,26)(H,21,22,23)
InChIKeyLDAFGCPXAJRUAF-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.48
Rot. Bonds6

About 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid

4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid (PubChem CID 66977902) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid
PubChem CID66977902
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(C(F)(F)F)nc(NCCCN3CCOCC3)c2c1
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)16-22-13-3-2-11(15(25)26)10-12(13)14(23-16)21-4-1-5-24-6-8-27-9-7-24/h2-3,10H,1,4-9H2,(H,25,26)(H,21,22,23)
InChIKeyLDAFGCPXAJRUAF-UHFFFAOYSA-N
XLogP2.48
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-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

3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
2-(4-bromophenyl)-6-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 68860928
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105711
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
2-hydrazinyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 66572559
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
3-bromo-4-[(3-morpholin-4-ylpropylamino)methyl]benzoic acid
CID 103237317
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid?
The IUPAC name of 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid (CID 66977902) is 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid?
The canonical SMILES for 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid is O=C(O)c1ccc2nc(C(F)(F)F)nc(NCCCN3CCOCC3)c2c1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid?
The InChIKey is LDAFGCPXAJRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c18-17(19,20)16-22-13-3-2-11(15(25)26)10-12(13)14(23-16)21-4-1-5-24-6-8-27-9-7-24/h2-3,10H,1,4-9H2,(H,25,26)(H,21,22,23).
What are the key properties of 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid?
4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid has a molecular weight of 384.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid is sourced from PubChem (CID 66977902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).