N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C18H21N5O — CID 805994

IUPACN-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1
InChIInChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-20-16-7-3-2-6-15(16)17(21-18)19-13-14-5-4-12-24-14/h2-7,12H,8-11,13H2,1H3,(H,19,20,21)
InChIKeyAKLTUAUOGNRRLK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.59
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 805994) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID805994
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1
InChIInChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-20-16-7-3-2-6-15(16)17(21-18)19-13-14-5-4-12-24-14/h2-7,12H,8-11,13H2,1H3,(H,19,20,21)
InChIKeyAKLTUAUOGNRRLK-UHFFFAOYSA-N
XLogP2.59
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 805994) is N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is AKLTUAUOGNRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-8-10-23(11-9-22)18-20-16-7-3-2-6-15(16)17(21-18)19-13-14-5-4-12-24-14/h2-7,12H,8-11,13H2,1H3,(H,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 805994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).