6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine

C26H24N6O3 — CID 58139939

IUPAC6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCOC4CC4)cc23)ccc1Oc1ccc2ncnn2c1
InChIInChI=1S/C26H24N6O3/c1-17-12-18(2-8-24(17)35-21-6-9-25-28-16-30-32(25)14-21)31-26-22-13-20(5-7-23(22)27-15-29-26)34-11-10-33-19-3-4-19/h2,5-9,12-16,19H,3-4,10-11H2,1H3,(H,27,29,31)
InChIKeyRZOIOBUKGUWQLH-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.07
Rot. Bonds9

About 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine

6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine (PubChem CID 58139939) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine
PubChem CID58139939
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCOC4CC4)cc23)ccc1Oc1ccc2ncnn2c1
InChIInChI=1S/C26H24N6O3/c1-17-12-18(2-8-24(17)35-21-6-9-25-28-16-30-32(25)14-21)31-26-22-13-20(5-7-23(22)27-15-29-26)34-11-10-33-19-3-4-19/h2,5-9,12-16,19H,3-4,10-11H2,1H3,(H,27,29,31)
InChIKeyRZOIOBUKGUWQLH-UHFFFAOYSA-N
XLogP5.07
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopentyloxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 147330210
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
(3R)-1-[2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl]pyrrolidin-3-ol
CID 58139868
6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58140156
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139893
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 58139948
6-(8-azabicyclo[3.2.1]octan-3-yloxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 175958433
N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
CID 66937017
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
CID 58139984
N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 58139957

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine?
The IUPAC name of 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine (CID 58139939) is 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(OCCOC4CC4)cc23)ccc1Oc1ccc2ncnn2c1.
What is the InChIKey of 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine?
The InChIKey is RZOIOBUKGUWQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-17-12-18(2-8-24(17)35-21-6-9-25-28-16-30-32(25)14-21)31-26-22-13-20(5-7-23(22)27-15-29-26)34-11-10-33-19-3-4-19/h2,5-9,12-16,19H,3-4,10-11H2,1H3,(H,27,29,31).
What are the key properties of 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine?
6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 468.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 58139939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).