2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline

C19H9F4N3O — CID 9106981

IUPAC2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline
SMILESFc1cc(F)c(F)c(Oc2nc(-c3cccnc3)nc3ccccc23)c1F
InChIInChI=1S/C19H9F4N3O/c20-12-8-13(21)16(23)17(15(12)22)27-19-11-5-1-2-6-14(11)25-18(26-19)10-4-3-7-24-9-10/h1-9H
InChIKeyMLOLWXBYXQUTHQ-UHFFFAOYSA-N
MW371.29 g/mol
LogP5.04
Rot. Bonds3

About 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline

2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline (PubChem CID 9106981) has the molecular formula C19H9F4N3O and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline.

Molecular Properties

Compound Name2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline
PubChem CID9106981
Molecular FormulaC19H9F4N3O
Molecular Weight371.29 g/mol
Exact Mass371.07
IUPAC Name2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline
SMILESFc1cc(F)c(F)c(Oc2nc(-c3cccnc3)nc3ccccc23)c1F
InChIInChI=1S/C19H9F4N3O/c20-12-8-13(21)16(23)17(15(12)22)27-19-11-5-1-2-6-14(11)25-18(26-19)10-4-3-7-24-9-10/h1-9H
InChIKeyMLOLWXBYXQUTHQ-UHFFFAOYSA-N
XLogP5.04
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.29
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-yl-4-pyridin-3-yloxyquinazoline
CID 4793706
2-pyridin-3-yl-4-quinoxalin-6-yloxyquinazoline
CID 133406630
4-phenoxy-2-pyridin-3-ylquinazolin-6-ol
CID 71274335
5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole
CID 60503325
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridin-3-ylquinazoline
CID 2535195
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
3-[4-(3-chloro-4-fluorophenoxy)-2-pyridin-3-ylquinazolin-6-yl]propan-1-ol
CID 71179843
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
2-(7-methyl-2-pyridin-3-ylquinazolin-4-yl)oxybenzamide;molecular hydrogen
CID 144500825

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline?
The IUPAC name of 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline (CID 9106981) is 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline.
What is the SMILES notation for 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline?
The canonical SMILES for 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline is Fc1cc(F)c(F)c(Oc2nc(-c3cccnc3)nc3ccccc23)c1F.
What is the InChIKey of 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline?
The InChIKey is MLOLWXBYXQUTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F4N3O/c20-12-8-13(21)16(23)17(15(12)22)27-19-11-5-1-2-6-14(11)25-18(26-19)10-4-3-7-24-9-10/h1-9H.
What are the key properties of 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline?
2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline has a molecular weight of 371.29 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-(2,3,5,6-tetrafluorophenoxy)quinazoline is sourced from PubChem (CID 9106981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).