6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine

C21H16N6 — CID 127045266

IUPAC6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
SMILESCn1cc(-c2ccc3ncnc(Nc4ccc5ncccc5c4)c3c2)cn1
InChIInChI=1S/C21H16N6/c1-27-12-16(11-25-27)14-4-6-20-18(10-14)21(24-13-23-20)26-17-5-7-19-15(9-17)3-2-8-22-19/h2-13H,1H3,(H,23,24,26)
InChIKeyFEPYBAFFXFFSLC-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.32
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine

6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine (PubChem CID 127045266) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
PubChem CID127045266
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
SMILESCn1cc(-c2ccc3ncnc(Nc4ccc5ncccc5c4)c3c2)cn1
InChIInChI=1S/C21H16N6/c1-27-12-16(11-25-27)14-4-6-20-18(10-14)21(24-13-23-20)26-17-5-7-19-15(9-17)3-2-8-22-19/h2-13H,1H3,(H,23,24,26)
InChIKeyFEPYBAFFXFFSLC-UHFFFAOYSA-N
XLogP4.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine (CID 127045266) is 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine is Cn1cc(-c2ccc3ncnc(Nc4ccc5ncccc5c4)c3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
The InChIKey is FEPYBAFFXFFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-27-12-16(11-25-27)14-4-6-20-18(10-14)21(24-13-23-20)26-17-5-7-19-15(9-17)3-2-8-22-19/h2-13H,1H3,(H,23,24,26).
What are the key properties of 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine is sourced from PubChem (CID 127045266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).