1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol

C19H22N4O2 — CID 126894524

IUPAC1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCN(c3ccc4ncncc4c3)CC2)o1
InChIInChI=1S/C19H22N4O2/c1-14-2-5-19(25-14)18(24)12-22-6-8-23(9-7-22)16-3-4-17-15(10-16)11-20-13-21-17/h2-5,10-11,13,18,24H,6-9,12H2,1H3
InChIKeyKBWWXUMNSVTNOJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.39
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol

1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol (PubChem CID 126894524) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol
PubChem CID126894524
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol
SMILESCc1ccc(C(O)CN2CCN(c3ccc4ncncc4c3)CC2)o1
InChIInChI=1S/C19H22N4O2/c1-14-2-5-19(25-14)18(24)12-22-6-8-23(9-7-22)16-3-4-17-15(10-16)11-20-13-21-17/h2-5,10-11,13,18,24H,6-9,12H2,1H3
InChIKeyKBWWXUMNSVTNOJ-UHFFFAOYSA-N
XLogP2.39
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
1-methylsulfonyl-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 126894532
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181
6-(4-quinolin-4-ylpiperazin-1-yl)quinazoline
CID 126894311
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894138

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol (CID 126894524) is 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol is Cc1ccc(C(O)CN2CCN(c3ccc4ncncc4c3)CC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol?
The InChIKey is KBWWXUMNSVTNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-2-5-19(25-14)18(24)12-22-6-8-23(9-7-22)16-3-4-17-15(10-16)11-20-13-21-17/h2-5,10-11,13,18,24H,6-9,12H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol?
1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol has a molecular weight of 338.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 126894524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).