6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine

C25H23N7 — CID 127045112

IUPAC6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
SMILESc1cnc2ccc(Nc3ncnc4ccc(-c5cnn(C6CCNCC6)c5)cc34)cc2c1
InChIInChI=1S/C25H23N7/c1-2-18-12-20(4-6-23(18)27-9-1)31-25-22-13-17(3-5-24(22)28-16-29-25)19-14-30-32(15-19)21-7-10-26-11-8-21/h1-6,9,12-16,21,26H,7-8,10-11H2,(H,28,29,31)
InChIKeyGQNNNKXWKABPNJ-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.71
Rot. Bonds4

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

6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine (PubChem CID 127045112) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
PubChem CID127045112
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine
SMILESc1cnc2ccc(Nc3ncnc4ccc(-c5cnn(C6CCNCC6)c5)cc34)cc2c1
InChIInChI=1S/C25H23N7/c1-2-18-12-20(4-6-23(18)27-9-1)31-25-22-13-17(3-5-24(22)28-16-29-25)19-14-30-32(15-19)21-7-10-26-11-8-21/h1-6,9,12-16,21,26H,7-8,10-11H2,(H,28,29,31)
InChIKeyGQNNNKXWKABPNJ-UHFFFAOYSA-N
XLogP4.71
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
The IUPAC name of 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine (CID 127045112) is 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine.
What is the SMILES notation for 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
The canonical SMILES for 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine is c1cnc2ccc(Nc3ncnc4ccc(-c5cnn(C6CCNCC6)c5)cc34)cc2c1.
What is the InChIKey of 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
The InChIKey is GQNNNKXWKABPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c1-2-18-12-20(4-6-23(18)27-9-1)31-25-22-13-17(3-5-24(22)28-16-29-25)19-14-30-32(15-19)21-7-10-26-11-8-21/h1-6,9,12-16,21,26H,7-8,10-11H2,(H,28,29,31).
What are the key properties of 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine?
6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine has a molecular weight of 421.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-piperidin-4-ylpyrazol-4-yl)-N-quinolin-6-ylquinazolin-4-amine is sourced from PubChem (CID 127045112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).