7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine

C18H15F2N5 — CID 154872583

IUPAC7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine
SMILESCC(C)n1ncc2cc(Nc3ncnc4c(F)c(F)ccc34)ccc21
InChIInChI=1S/C18H15F2N5/c1-10(2)25-15-6-3-12(7-11(15)8-23-25)24-18-13-4-5-14(19)16(20)17(13)21-9-22-18/h3-10H,1-2H3,(H,21,22,24)
InChIKeyCABCUURODQCKED-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.58
Rot. Bonds3

About 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine

7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine (PubChem CID 154872583) has the molecular formula C18H15F2N5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine
PubChem CID154872583
Molecular FormulaC18H15F2N5
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC Name7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine
SMILESCC(C)n1ncc2cc(Nc3ncnc4c(F)c(F)ccc34)ccc21
InChIInChI=1S/C18H15F2N5/c1-10(2)25-15-6-3-12(7-11(15)8-23-25)24-18-13-4-5-14(19)16(20)17(13)21-9-22-18/h3-10H,1-2H3,(H,21,22,24)
InChIKeyCABCUURODQCKED-UHFFFAOYSA-N
XLogP4.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine?
The IUPAC name of 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine (CID 154872583) is 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine is CC(C)n1ncc2cc(Nc3ncnc4c(F)c(F)ccc34)ccc21.
What is the InChIKey of 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine?
The InChIKey is CABCUURODQCKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5/c1-10(2)25-15-6-3-12(7-11(15)8-23-25)24-18-13-4-5-14(19)16(20)17(13)21-9-22-18/h3-10H,1-2H3,(H,21,22,24).
What are the key properties of 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine?
7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine has a molecular weight of 339.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N-(1-propan-2-ylindazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 154872583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).