7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

C26H16F4N4O — CID 71274263

IUPAC7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFc1ccc(-c2ccc3c(Nc4cccc(OC(F)(F)F)c4)nc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C26H16F4N4O/c27-19-9-6-16(7-10-19)17-8-11-22-23(13-17)33-24(18-3-2-12-31-15-18)34-25(22)32-20-4-1-5-21(14-20)35-26(28,29)30/h1-15H,(H,32,33,34)
InChIKeyCSCGWCTWNQWOTQ-UHFFFAOYSA-N
MW476.43 g/mol
LogP7.14
Rot. Bonds5

About 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 71274263) has the molecular formula C26H16F4N4O and a molecular weight of 476.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID71274263
Molecular FormulaC26H16F4N4O
Molecular Weight476.43 g/mol
Exact Mass476.13
IUPAC Name7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFc1ccc(-c2ccc3c(Nc4cccc(OC(F)(F)F)c4)nc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C26H16F4N4O/c27-19-9-6-16(7-10-19)17-8-11-22-23(13-17)33-24(18-3-2-12-31-15-18)34-25(22)32-20-4-1-5-21(14-20)35-26(28,29)30/h1-15H,(H,32,33,34)
InChIKeyCSCGWCTWNQWOTQ-UHFFFAOYSA-N
XLogP7.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]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

Related Compounds

CID 877998
CID 877998
CID 49830684
CID 49830684
CID 712193
CID 712193
CID 5328061
CID 5328061
CID 5328190
CID 5328190
CID 5330308
CID 5330308
CID 5330311
CID 5330311
CID 5330316
CID 5330316
CID 5330319
CID 5330319
CID 10338944
CID 10338944
CID 10406635
CID 10406635
CID 10429018
CID 10429018

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 71274263) is 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is Fc1ccc(-c2ccc3c(Nc4cccc(OC(F)(F)F)c4)nc(-c4cccnc4)nc3c2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is CSCGWCTWNQWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N4O/c27-19-9-6-16(7-10-19)17-8-11-22-23(13-17)33-24(18-3-2-12-31-15-18)34-25(22)32-20-4-1-5-21(14-20)35-26(28,29)30/h1-15H,(H,32,33,34).
What are the key properties of 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 476.43 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-pyridin-3-yl-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 71274263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).