N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C23H18ClF3N4 — CID 11697948

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCC(Cc1ccc(Cl)cc1)Nc1ncnc2cc(-c3ncccc3C(F)(F)F)ccc12
InChIInChI=1S/C23H18ClF3N4/c1-14(11-15-4-7-17(24)8-5-15)31-22-18-9-6-16(12-20(18)29-13-30-22)21-19(23(25,26)27)3-2-10-28-21/h2-10,12-14H,11H2,1H3,(H,29,30,31)
InChIKeySRTUIGXWAIZBRD-UHFFFAOYSA-N
MW442.87 g/mol
LogP6.41
Rot. Bonds5

About N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 11697948) has the molecular formula C23H18ClF3N4 and a molecular weight of 442.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID11697948
Molecular FormulaC23H18ClF3N4
Molecular Weight442.87 g/mol
Exact Mass442.12
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCC(Cc1ccc(Cl)cc1)Nc1ncnc2cc(-c3ncccc3C(F)(F)F)ccc12
InChIInChI=1S/C23H18ClF3N4/c1-14(11-15-4-7-17(24)8-5-15)31-22-18-9-6-16(12-20(18)29-13-30-22)21-19(23(25,26)27)3-2-10-28-21/h2-10,12-14H,11H2,1H3,(H,29,30,31)
InChIKeySRTUIGXWAIZBRD-UHFFFAOYSA-N
XLogP6.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.87
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 11697948) is N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is CC(Cc1ccc(Cl)cc1)Nc1ncnc2cc(-c3ncccc3C(F)(F)F)ccc12.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is SRTUIGXWAIZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4/c1-14(11-15-4-7-17(24)8-5-15)31-22-18-9-6-16(12-20(18)29-13-30-22)21-19(23(25,26)27)3-2-10-28-21/h2-10,12-14H,11H2,1H3,(H,29,30,31).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 442.87 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 11697948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).