6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine

C18H15FN4 — CID 58329328

IUPAC6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine
SMILESCNc1nc(C)c2cc(-c3cc4cc(F)ccc4[nH]3)ccc2n1
InChIInChI=1S/C18H15FN4/c1-10-14-8-11(3-5-16(14)23-18(20-2)21-10)17-9-12-7-13(19)4-6-15(12)22-17/h3-9,22H,1-2H3,(H,20,21,23)
InChIKeyHQINLARNSLRICW-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.27
Rot. Bonds2

About 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine

6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine (PubChem CID 58329328) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine
PubChem CID58329328
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine
SMILESCNc1nc(C)c2cc(-c3cc4cc(F)ccc4[nH]3)ccc2n1
InChIInChI=1S/C18H15FN4/c1-10-14-8-11(3-5-16(14)23-18(20-2)21-10)17-9-12-7-13(19)4-6-15(12)22-17/h3-9,22H,1-2H3,(H,20,21,23)
InChIKeyHQINLARNSLRICW-UHFFFAOYSA-N
XLogP4.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine?
The IUPAC name of 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine (CID 58329328) is 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine.
What is the SMILES notation for 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine?
The canonical SMILES for 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine is CNc1nc(C)c2cc(-c3cc4cc(F)ccc4[nH]3)ccc2n1.
What is the InChIKey of 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine?
The InChIKey is HQINLARNSLRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c1-10-14-8-11(3-5-16(14)23-18(20-2)21-10)17-9-12-7-13(19)4-6-15(12)22-17/h3-9,22H,1-2H3,(H,20,21,23).
What are the key properties of 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine?
6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine has a molecular weight of 306.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1H-indol-2-yl)-N,4-dimethylquinazolin-2-amine is sourced from PubChem (CID 58329328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).