N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine

C25H25N5 — CID 4882879

IUPACN-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(-c4cccnc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)
InChIKeyFPSNRFFFQDOELT-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.77
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 4882879) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID4882879
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(-c4cccnc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)
InChIKeyFPSNRFFFQDOELT-UHFFFAOYSA-N
XLogP4.77
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine (CID 4882879) is N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine is c1ccc(CN2CCC(Nc3nc(-c4cccnc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is FPSNRFFFQDOELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 395.51 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 4882879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).