2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride

C19H24ClN5O2 — CID 2910131

IUPAC2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1
InChIInChI=1S/C19H23N5O2.ClH/c25-12-11-23-7-9-24(10-8-23)19-21-17-6-2-1-5-16(17)18(22-19)20-14-15-4-3-13-26-15;/h1-6,13,25H,7-12,14H2,(H,20,21,22);1H
InChIKeyPFCSTTQHGUQBJZ-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride

2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 2910131) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride
PubChem CID2910131
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1
InChIInChI=1S/C19H23N5O2.ClH/c25-12-11-23-7-9-24(10-8-23)19-21-17-6-2-1-5-16(17)18(22-19)20-14-15-4-3-13-26-15;/h1-6,13,25H,7-12,14H2,(H,20,21,22);1H
InChIKeyPFCSTTQHGUQBJZ-UHFFFAOYSA-N
XLogP2.37
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride (CID 2910131) is 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is PFCSTTQHGUQBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c25-12-11-23-7-9-24(10-8-23)19-21-17-6-2-1-5-16(17)18(22-19)20-14-15-4-3-13-26-15;/h1-6,13,25H,7-12,14H2,(H,20,21,22);1H.
What are the key properties of 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride?
2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 2910131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).