6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine

C17H15N5O — CID 44968252

IUPAC6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
SMILESc1nc(NCCc2cnc[nH]2)c2cc(-c3ccoc3)ccc2n1
InChIInChI=1S/C17H15N5O/c1-2-16-15(7-12(1)13-4-6-23-9-13)17(22-11-21-16)19-5-3-14-8-18-10-20-14/h1-2,4,6-11H,3,5H2,(H,18,20)(H,19,21,22)
InChIKeyKARNMSZGDWFXEL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.27
Rot. Bonds5

About 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine

6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine (PubChem CID 44968252) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
PubChem CID44968252
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
SMILESc1nc(NCCc2cnc[nH]2)c2cc(-c3ccoc3)ccc2n1
InChIInChI=1S/C17H15N5O/c1-2-16-15(7-12(1)13-4-6-23-9-13)17(22-11-21-16)19-5-3-14-8-18-10-20-14/h1-2,4,6-11H,3,5H2,(H,18,20)(H,19,21,22)
InChIKeyKARNMSZGDWFXEL-UHFFFAOYSA-N
XLogP3.27
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine (CID 44968252) is 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine is c1nc(NCCc2cnc[nH]2)c2cc(-c3ccoc3)ccc2n1.
What is the InChIKey of 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
The InChIKey is KARNMSZGDWFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-16-15(7-12(1)13-4-6-23-9-13)17(22-11-21-16)19-5-3-14-8-18-10-20-14/h1-2,4,6-11H,3,5H2,(H,18,20)(H,19,21,22).
What are the key properties of 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 44968252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).