N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine

C23H26N6O — CID 78210204

IUPACN-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine
SMILESCCCc1cc(OC2CCNCC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C23H26N6O/c1-2-3-15-10-17-13-25-23(27-18-5-4-16-14-26-29-20(16)12-18)28-22(17)21(11-15)30-19-6-8-24-9-7-19/h4-5,10-14,19,24H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyFBHTUGHTOZWUFL-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.33
Rot. Bonds6

About N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine

N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine (PubChem CID 78210204) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine
PubChem CID78210204
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine
SMILESCCCc1cc(OC2CCNCC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1
InChIInChI=1S/C23H26N6O/c1-2-3-15-10-17-13-25-23(27-18-5-4-16-14-26-29-20(16)12-18)28-22(17)21(11-15)30-19-6-8-24-9-7-19/h4-5,10-14,19,24H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyFBHTUGHTOZWUFL-UHFFFAOYSA-N
XLogP4.33
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine?
The IUPAC name of N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine (CID 78210204) is N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine is CCCc1cc(OC2CCNCC2)c2nc(Nc3ccc4cn[nH]c4c3)ncc2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine?
The InChIKey is FBHTUGHTOZWUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-2-3-15-10-17-13-25-23(27-18-5-4-16-14-26-29-20(16)12-18)28-22(17)21(11-15)30-19-6-8-24-9-7-19/h4-5,10-14,19,24H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine?
N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine has a molecular weight of 402.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propylquinazolin-2-amine is sourced from PubChem (CID 78210204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).