N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine

C20H12ClFN6O — CID 91758367

IUPACN-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
SMILESFc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c12
InChIInChI=1S/C20H12ClFN6O/c21-14-8-12(27-20-19-15(22)2-1-3-16(19)23-10-25-20)4-5-17(14)29-13-6-7-28-18(9-13)24-11-26-28/h1-11H,(H,23,25,27)
InChIKeyWAHKDKYMUVERSB-UHFFFAOYSA-N
MW406.81 g/mol
LogP5.00
Rot. Bonds4

About N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine

N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine (PubChem CID 91758367) has the molecular formula C20H12ClFN6O and a molecular weight of 406.81 g/mol. Its IUPAC name is N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
PubChem CID91758367
Molecular FormulaC20H12ClFN6O
Molecular Weight406.81 g/mol
Exact Mass406.07
IUPAC NameN-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine
SMILESFc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c12
InChIInChI=1S/C20H12ClFN6O/c21-14-8-12(27-20-19-15(22)2-1-3-16(19)23-10-25-20)4-5-17(14)29-13-6-7-28-18(9-13)24-11-26-28/h1-11H,(H,23,25,27)
InChIKeyWAHKDKYMUVERSB-UHFFFAOYSA-N
XLogP5.00
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.81
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine with MolForge

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Related Compounds

N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
CID 69028468
5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-ol
CID 155188332
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-nitroquinazolin-4-amine;ethane
CID 162431802
(3R)-1-[4-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4,4-difluoropyrrolidin-3-ol
CID 167318806
5-(1-azabicyclo[2.2.2]octan-4-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 166512656
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-[(3R)-3-(difluoromethoxy)pyrrolidin-1-yl]pyrimido[5,4-d]pyrimidin-4-amine
CID 167318601
6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
CID 157046929
4-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-N-methyl-6-N-(oxolan-3-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 166927668
6-(azetidin-3-yloxy)-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-ethoxyquinazolin-4-amine
CID 157047015
6-[(3aR,6aR)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine
CID 167318637
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-[2-(dimethylamino)ethoxy]-6-nitroquinazolin-4-amine
CID 162431884
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine (CID 91758367) is N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine is Fc1cccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(Cl)c3)c12.
What is the InChIKey of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine?
The InChIKey is WAHKDKYMUVERSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN6O/c21-14-8-12(27-20-19-15(22)2-1-3-16(19)23-10-25-20)4-5-17(14)29-13-6-7-28-18(9-13)24-11-26-28/h1-11H,(H,23,25,27).
What are the key properties of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine?
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine has a molecular weight of 406.81 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-fluoroquinazolin-4-amine is sourced from PubChem (CID 91758367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).