N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine

C24H24N4S — CID 2527472

IUPACN-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H24N4S/c1-2-7-18(8-3-1)17-28-14-12-19(13-15-28)25-23-20-9-4-5-10-21(20)26-24(27-23)22-11-6-16-29-22/h1-11,16,19H,12-15,17H2,(H,25,26,27)
InChIKeyUFRRNLWCSJCKKE-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.43
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 2527472) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID2527472
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H24N4S/c1-2-7-18(8-3-1)17-28-14-12-19(13-15-28)25-23-20-9-4-5-10-21(20)26-24(27-23)22-11-6-16-29-22/h1-11,16,19H,12-15,17H2,(H,25,26,27)
InChIKeyUFRRNLWCSJCKKE-UHFFFAOYSA-N
XLogP5.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.43
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-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine (CID 2527472) is N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine is c1ccc(CN2CCC(Nc3nc(-c4cccs4)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is UFRRNLWCSJCKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-2-7-18(8-3-1)17-28-14-12-19(13-15-28)25-23-20-9-4-5-10-21(20)26-24(27-23)22-11-6-16-29-22/h1-11,16,19H,12-15,17H2,(H,25,26,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 400.55 g/mol, XLogP of 5.43, 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-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 2527472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).