2-(furan-3-yl)-N-methylquinazolin-4-amine

C13H11N3O — CID 3234844

IUPAC2-(furan-3-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C13H11N3O/c1-14-13-10-4-2-3-5-11(10)15-12(16-13)9-6-7-17-8-9/h2-8H,1H3,(H,14,15,16)
InChIKeyBSQDWWAIKQEXLX-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.93
Rot. Bonds2

About 2-(furan-3-yl)-N-methylquinazolin-4-amine

2-(furan-3-yl)-N-methylquinazolin-4-amine (PubChem CID 3234844) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-methylquinazolin-4-amine
PubChem CID3234844
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(furan-3-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C13H11N3O/c1-14-13-10-4-2-3-5-11(10)15-12(16-13)9-6-7-17-8-9/h2-8H,1H3,(H,14,15,16)
InChIKeyBSQDWWAIKQEXLX-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-methylquinazolin-4-amine (CID 3234844) is 2-(furan-3-yl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-methylquinazolin-4-amine is CNc1nc(-c2ccoc2)nc2ccccc12.
What is the InChIKey of 2-(furan-3-yl)-N-methylquinazolin-4-amine?
The InChIKey is BSQDWWAIKQEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-14-13-10-4-2-3-5-11(10)15-12(16-13)9-6-7-17-8-9/h2-8H,1H3,(H,14,15,16).
What are the key properties of 2-(furan-3-yl)-N-methylquinazolin-4-amine?
2-(furan-3-yl)-N-methylquinazolin-4-amine has a molecular weight of 225.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3234844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).