N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine

C20H11ClF4N4O — CID 71180080

IUPACN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(OC(F)(F)F)cc23)cc1Cl
InChIInChI=1S/C20H11ClF4N4O/c21-15-8-12(3-5-16(15)22)27-19-14-9-13(30-20(23,24)25)4-6-17(14)28-18(29-19)11-2-1-7-26-10-11/h1-10H,(H,27,28,29)
InChIKeyICFJKSIIZYWHFE-UHFFFAOYSA-N
MW434.78 g/mol
LogP6.13
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine (PubChem CID 71180080) has the molecular formula C20H11ClF4N4O and a molecular weight of 434.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine
PubChem CID71180080
Molecular FormulaC20H11ClF4N4O
Molecular Weight434.78 g/mol
Exact Mass434.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(-c3cccnc3)nc3ccc(OC(F)(F)F)cc23)cc1Cl
InChIInChI=1S/C20H11ClF4N4O/c21-15-8-12(3-5-16(15)22)27-19-14-9-13(30-20(23,24)25)4-6-17(14)28-18(29-19)11-2-1-7-26-10-11/h1-10H,(H,27,28,29)
InChIKeyICFJKSIIZYWHFE-UHFFFAOYSA-N
XLogP6.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine (CID 71180080) is N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine is Fc1ccc(Nc2nc(-c3cccnc3)nc3ccc(OC(F)(F)F)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine?
The InChIKey is ICFJKSIIZYWHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF4N4O/c21-15-8-12(3-5-16(15)22)27-19-14-9-13(30-20(23,24)25)4-6-17(14)28-18(29-19)11-2-1-7-26-10-11/h1-10H,(H,27,28,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine has a molecular weight of 434.78 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(trifluoromethoxy)quinazolin-4-amine is sourced from PubChem (CID 71180080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).