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

C18H17N5O — CID 44968248

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine
SMILESCc1occc1-c1ccc2ncnc(NCCc3cnc[nH]3)c2c1
InChIInChI=1S/C18H17N5O/c1-12-15(5-7-24-12)13-2-3-17-16(8-13)18(23-11-22-17)20-6-4-14-9-19-10-21-14/h2-3,5,7-11H,4,6H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyWRMRKAXRURQOEY-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.58
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine (PubChem CID 44968248) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine
PubChem CID44968248
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine
SMILESCc1occc1-c1ccc2ncnc(NCCc3cnc[nH]3)c2c1
InChIInChI=1S/C18H17N5O/c1-12-15(5-7-24-12)13-2-3-17-16(8-13)18(23-11-22-17)20-6-4-14-9-19-10-21-14/h2-3,5,7-11H,4,6H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyWRMRKAXRURQOEY-UHFFFAOYSA-N
XLogP3.58
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine (CID 44968248) is N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine is Cc1occc1-c1ccc2ncnc(NCCc3cnc[nH]3)c2c1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine?
The InChIKey is WRMRKAXRURQOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-15(5-7-24-12)13-2-3-17-16(8-13)18(23-11-22-17)20-6-4-14-9-19-10-21-14/h2-3,5,7-11H,4,6H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-6-(2-methylfuran-3-yl)quinazolin-4-amine is sourced from PubChem (CID 44968248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).