2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol

C22H27N5O — CID 2989844

IUPAC2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCC(Nc1nc(N2CCN(CCO)CC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H27N5O/c1-17(18-7-3-2-4-8-18)23-21-19-9-5-6-10-20(19)24-22(25-21)27-13-11-26(12-14-27)15-16-28/h2-10,17,28H,11-16H2,1H3,(H,23,24,25)
InChIKeyIRFLIWQODBUWBU-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.92
Rot. Bonds6

About 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol (PubChem CID 2989844) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
PubChem CID2989844
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCC(Nc1nc(N2CCN(CCO)CC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H27N5O/c1-17(18-7-3-2-4-8-18)23-21-19-9-5-6-10-20(19)24-22(25-21)27-13-11-26(12-14-27)15-16-28/h2-10,17,28H,11-16H2,1H3,(H,23,24,25)
InChIKeyIRFLIWQODBUWBU-UHFFFAOYSA-N
XLogP2.92
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol (CID 2989844) is 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol is CC(Nc1nc(N2CCN(CCO)CC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is IRFLIWQODBUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17(18-7-3-2-4-8-18)23-21-19-9-5-6-10-20(19)24-22(25-21)27-13-11-26(12-14-27)15-16-28/h2-10,17,28H,11-16H2,1H3,(H,23,24,25).
What are the key properties of 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 377.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-phenylethylamino)quinazolin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2989844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).