4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid

C17H12F3N3O2 — CID 123614057

IUPAC4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)11-6-4-10(5-7-11)8-21-15-12-2-1-3-13(16(24)25)14(12)22-9-23-15/h1-7,9H,8H2,(H,24,25)(H,21,22,23)
InChIKeyJAZJULPOYNYRRA-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.96
Rot. Bonds4

About 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid

4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid (PubChem CID 123614057) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid
PubChem CID123614057
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)11-6-4-10(5-7-11)8-21-15-12-2-1-3-13(16(24)25)14(12)22-9-23-15/h1-7,9H,8H2,(H,24,25)(H,21,22,23)
InChIKeyJAZJULPOYNYRRA-UHFFFAOYSA-N
XLogP3.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-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-[[3-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxamide
CID 66762390
4-[[3-(pyridin-2-ylamino)phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140576324
CID 89044301
CID 89044301
4-[(2,4-dimethoxyphenyl)methylamino]quinazoline-8-carboxylic acid
CID 67042839
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
4-[(3-chlorophenyl)methylamino]quinazoline-8-carboxamide
CID 66763665
4-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638692
4-[[3-[[2-(2-hydroxyethoxy)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638548
4-[[3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxylic acid
CID 140638542
1-[5-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107722
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid?
The IUPAC name of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid (CID 123614057) is 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid is O=C(O)c1cccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid?
The InChIKey is JAZJULPOYNYRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)11-6-4-10(5-7-11)8-21-15-12-2-1-3-13(16(24)25)14(12)22-9-23-15/h1-7,9H,8H2,(H,24,25)(H,21,22,23).
What are the key properties of 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid?
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid has a molecular weight of 347.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-8-carboxylic acid is sourced from PubChem (CID 123614057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).