N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride

C13H12ClN3O — CID 2789307

IUPACN-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride
SMILESCl.c1coc(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C13H11N3O.ClH/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10;/h1-7,9H,8H2,(H,14,15,16);1H
InChIKeyGZHXEOGSBOAFGK-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.26
Rot. Bonds3

About N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride

N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride (PubChem CID 2789307) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride
PubChem CID2789307
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride
SMILESCl.c1coc(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C13H11N3O.ClH/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10;/h1-7,9H,8H2,(H,14,15,16);1H
InChIKeyGZHXEOGSBOAFGK-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride (CID 2789307) is N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride is Cl.c1coc(CNc2ncnc3ccccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
The InChIKey is GZHXEOGSBOAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O.ClH/c1-2-6-12-11(5-1)13(16-9-15-12)14-8-10-4-3-7-17-10;/h1-7,9H,8H2,(H,14,15,16);1H.
What are the key properties of N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride?
N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride has a molecular weight of 261.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2789307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).