7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine

C17H14FN5 — CID 59615377

IUPAC7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine
SMILESCc1cc(Nc2ncc3ccc(F)c(C)c3n2)cc2[nH]ncc12
InChIInChI=1S/C17H14FN5/c1-9-5-12(6-15-13(9)8-20-23-15)21-17-19-7-11-3-4-14(18)10(2)16(11)22-17/h3-8H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyQZGKJRXMNLOEBU-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.01
Rot. Bonds2

About 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine

7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine (PubChem CID 59615377) has the molecular formula C17H14FN5 and a molecular weight of 307.33 g/mol. Its IUPAC name is 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine
PubChem CID59615377
Molecular FormulaC17H14FN5
Molecular Weight307.33 g/mol
Exact Mass307.12
IUPAC Name7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine
SMILESCc1cc(Nc2ncc3ccc(F)c(C)c3n2)cc2[nH]ncc12
InChIInChI=1S/C17H14FN5/c1-9-5-12(6-15-13(9)8-20-23-15)21-17-19-7-11-3-4-14(18)10(2)16(11)22-17/h3-8H,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyQZGKJRXMNLOEBU-UHFFFAOYSA-N
XLogP4.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine?
The IUPAC name of 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine (CID 59615377) is 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine.
What is the SMILES notation for 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine?
The canonical SMILES for 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine is Cc1cc(Nc2ncc3ccc(F)c(C)c3n2)cc2[nH]ncc12.
What is the InChIKey of 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine?
The InChIKey is QZGKJRXMNLOEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5/c1-9-5-12(6-15-13(9)8-20-23-15)21-17-19-7-11-3-4-14(18)10(2)16(11)22-17/h3-8H,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine?
7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine has a molecular weight of 307.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-N-(4-methyl-1H-indazol-6-yl)quinazolin-2-amine is sourced from PubChem (CID 59615377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).