N-benzyl-2-(furan-3-yl)quinazolin-4-amine

C19H15N3O — CID 3235394

IUPACN-benzyl-2-(furan-3-yl)quinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3ccoc3)nc3ccccc23)cc1
InChIInChI=1S/C19H15N3O/c1-2-6-14(7-3-1)12-20-19-16-8-4-5-9-17(16)21-18(22-19)15-10-11-23-13-15/h1-11,13H,12H2,(H,20,21,22)
InChIKeySCCBABNBFARERN-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.50
Rot. Bonds4

About N-benzyl-2-(furan-3-yl)quinazolin-4-amine

N-benzyl-2-(furan-3-yl)quinazolin-4-amine (PubChem CID 3235394) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-2-(furan-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(furan-3-yl)quinazolin-4-amine
PubChem CID3235394
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-benzyl-2-(furan-3-yl)quinazolin-4-amine
SMILESc1ccc(CNc2nc(-c3ccoc3)nc3ccccc23)cc1
InChIInChI=1S/C19H15N3O/c1-2-6-14(7-3-1)12-20-19-16-8-4-5-9-17(16)21-18(22-19)15-10-11-23-13-15/h1-11,13H,12H2,(H,20,21,22)
InChIKeySCCBABNBFARERN-UHFFFAOYSA-N
XLogP4.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-3-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(furan-3-yl)quinazolin-4-amine (CID 3235394) is N-benzyl-2-(furan-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(furan-3-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(furan-3-yl)quinazolin-4-amine is c1ccc(CNc2nc(-c3ccoc3)nc3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-(furan-3-yl)quinazolin-4-amine?
The InChIKey is SCCBABNBFARERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-6-14(7-3-1)12-20-19-16-8-4-5-9-17(16)21-18(22-19)15-10-11-23-13-15/h1-11,13H,12H2,(H,20,21,22).
What are the key properties of N-benzyl-2-(furan-3-yl)quinazolin-4-amine?
N-benzyl-2-(furan-3-yl)quinazolin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-3-yl)quinazolin-4-amine is sourced from PubChem (CID 3235394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).