2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C18H14N4S — CID 2474854

IUPAC2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1cncc(-c2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C18H14N4S/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-11H,12H2,(H,20,21,22)
InChIKeyLOPGUWAPDVMPKH-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.37
Rot. Bonds4

About 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 2474854) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID2474854
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1cncc(-c2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C18H14N4S/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-11H,12H2,(H,20,21,22)
InChIKeyLOPGUWAPDVMPKH-UHFFFAOYSA-N
XLogP4.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 2474854) is 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine is c1cncc(-c2nc(NCc3cccs3)c3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is LOPGUWAPDVMPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-8-16-15(7-1)18(20-12-14-6-4-10-23-14)22-17(21-16)13-5-3-9-19-11-13/h1-11H,12H2,(H,20,21,22).
What are the key properties of 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 318.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 2474854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).