6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline

C17H18N4O — CID 3232928

IUPAC6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4ccoc4)cc23)CC1
InChIInChI=1S/C17H18N4O/c1-20-5-7-21(8-6-20)17-15-10-13(14-4-9-22-11-14)2-3-16(15)18-12-19-17/h2-4,9-12H,5-8H2,1H3
InChIKeyZKVZAERYCCRXBT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.64
Rot. Bonds2

About 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline

6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 3232928) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID3232928
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(-c4ccoc4)cc23)CC1
InChIInChI=1S/C17H18N4O/c1-20-5-7-21(8-6-20)17-15-10-13(14-4-9-22-11-14)2-3-16(15)18-12-19-17/h2-4,9-12H,5-8H2,1H3
InChIKeyZKVZAERYCCRXBT-UHFFFAOYSA-N
XLogP2.64
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline (CID 3232928) is 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2ncnc3ccc(-c4ccoc4)cc23)CC1.
What is the InChIKey of 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is ZKVZAERYCCRXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-20-5-7-21(8-6-20)17-15-10-13(14-4-9-22-11-14)2-3-16(15)18-12-19-17/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline?
6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 294.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 3232928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).