7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine

C21H20BrN5O2 — CID 177195504

IUPAC7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
SMILESCc1ccc2c(cnn2C2CCCCO2)c1Oc1cc(Br)cc2ncnc(N)c12
InChIInChI=1S/C21H20BrN5O2/c1-12-5-6-16-14(10-26-27(16)18-4-2-3-7-28-18)20(12)29-17-9-13(22)8-15-19(17)21(23)25-11-24-15/h5-6,8-11,18H,2-4,7H2,1H3,(H2,23,24,25)
InChIKeyAJHUOOSYOJMNKV-UHFFFAOYSA-N
MW454.33 g/mol
LogP5.12
Rot. Bonds3

About 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine

7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine (PubChem CID 177195504) has the molecular formula C21H20BrN5O2 and a molecular weight of 454.33 g/mol. Its IUPAC name is 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
PubChem CID177195504
Molecular FormulaC21H20BrN5O2
Molecular Weight454.33 g/mol
Exact Mass453.08
IUPAC Name7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
SMILESCc1ccc2c(cnn2C2CCCCO2)c1Oc1cc(Br)cc2ncnc(N)c12
InChIInChI=1S/C21H20BrN5O2/c1-12-5-6-16-14(10-26-27(16)18-4-2-3-7-28-18)20(12)29-17-9-13(22)8-15-19(17)21(23)25-11-24-15/h5-6,8-11,18H,2-4,7H2,1H3,(H2,23,24,25)
InChIKeyAJHUOOSYOJMNKV-UHFFFAOYSA-N
XLogP5.12
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
7-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrido[4,3-d]pyrimidine
CID 175883643
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
cis-(1S,3R)-3-[4-methyl-1-(oxan-2-yl)indazol-5-yl]oxycyclohexan-1-amine
CID 69436428
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-methyl-4-[5-methyl-1-(oxan-2-yl)indazol-4-yl]-1-oxidoquinolin-1-ium
CID 170548642
1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-6-amine
CID 59276653
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
1-(oxan-2-yl)-5-(oxan-2-yloxy)-4-propoxyindazole
CID 69434566

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine?
The IUPAC name of 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine (CID 177195504) is 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine.
What is the SMILES notation for 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine?
The canonical SMILES for 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine is Cc1ccc2c(cnn2C2CCCCO2)c1Oc1cc(Br)cc2ncnc(N)c12.
What is the InChIKey of 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine?
The InChIKey is AJHUOOSYOJMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O2/c1-12-5-6-16-14(10-26-27(16)18-4-2-3-7-28-18)20(12)29-17-9-13(22)8-15-19(17)21(23)25-11-24-15/h5-6,8-11,18H,2-4,7H2,1H3,(H2,23,24,25).
What are the key properties of 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine?
7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine has a molecular weight of 454.33 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 177195504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).