6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

C27H21N7O2 — CID 58140156

IUPAC6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCc1ccc(Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2)cn1
InChIInChI=1S/C27H21N7O2/c1-17-11-19(4-8-25(17)36-21-9-10-34-26(13-21)30-16-32-34)33-27-23-12-20(6-7-24(23)29-15-31-27)35-22-5-3-18(2)28-14-22/h3-16H,1-2H3,(H,29,31,33)
InChIKeyWVDOCUZVYOIZPY-UHFFFAOYSA-N
MW475.51 g/mol
LogP6.01
Rot. Bonds6

About 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 58140156) has the molecular formula C27H21N7O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
PubChem CID58140156
Molecular FormulaC27H21N7O2
Molecular Weight475.51 g/mol
Exact Mass475.18
IUPAC Name6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCc1ccc(Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2)cn1
InChIInChI=1S/C27H21N7O2/c1-17-11-19(4-8-25(17)36-21-9-10-34-26(13-21)30-16-32-34)33-27-23-12-20(6-7-24(23)29-15-31-27)35-22-5-3-18(2)28-14-22/h3-16H,1-2H3,(H,29,31,33)
InChIKeyWVDOCUZVYOIZPY-UHFFFAOYSA-N
XLogP6.01
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

6-methyl-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 130324323
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
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
(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
3-(1-methylcyclopropyl)-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]prop-2-ynamide
CID 162431714
5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-ol
CID 155188332
6-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 58139887
5-hydroxy-N-methyl-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431836
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
(4S)-4-methyl-3-methylidene-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-2-one
CID 164561869
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The IUPAC name of 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) is 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is Cc1ccc(Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2)cn1.
What is the InChIKey of 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The InChIKey is WVDOCUZVYOIZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2/c1-17-11-19(4-8-25(17)36-21-9-10-34-26(13-21)30-16-32-34)33-27-23-12-20(6-7-24(23)29-15-31-27)35-22-5-3-18(2)28-14-22/h3-16H,1-2H3,(H,29,31,33).
What are the key properties of 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 475.51 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-3-pyridinyl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 58140156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).