[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol

C18H17N5O2 — CID 44968246

IUPAC[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1
InChIInChI=1S/C18H17N5O2/c24-9-14-2-4-17(25-14)12-1-3-16-15(7-12)18(23-11-22-16)20-6-5-13-8-19-10-21-13/h1-4,7-8,10-11,24H,5-6,9H2,(H,19,21)(H,20,22,23)
InChIKeyFHCYFOOQMKKPDA-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.76
Rot. Bonds6

About [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol

[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 44968246) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol
PubChem CID44968246
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1
InChIInChI=1S/C18H17N5O2/c24-9-14-2-4-17(25-14)12-1-3-16-15(7-12)18(23-11-22-16)20-6-5-13-8-19-10-21-13/h1-4,7-8,10-11,24H,5-6,9H2,(H,19,21)(H,20,22,23)
InChIKeyFHCYFOOQMKKPDA-UHFFFAOYSA-N
XLogP2.76
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol (CID 44968246) is [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol is OCc1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1.
What is the InChIKey of [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is FHCYFOOQMKKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-9-14-2-4-17(25-14)12-1-3-16-15(7-12)18(23-11-22-16)20-6-5-13-8-19-10-21-13/h1-4,7-8,10-11,24H,5-6,9H2,(H,19,21)(H,20,22,23).
What are the key properties of [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol?
[5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 335.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 44968246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).