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

C22H27N5O — CID 122187395

IUPAC2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H27N5O/c1-16-7-8-19(17(2)15-16)23-21-18-5-3-4-6-20(18)24-22(25-21)27-11-9-26(10-12-27)13-14-28/h3-8,15,28H,9-14H2,1-2H3,(H,23,24,25)
InChIKeyVSQWIEBRBIULSL-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds5

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

2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol (PubChem CID 122187395) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
PubChem CID122187395
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H27N5O/c1-16-7-8-19(17(2)15-16)23-21-18-5-3-4-6-20(18)24-22(25-21)27-11-9-26(10-12-27)13-14-28/h3-8,15,28H,9-14H2,1-2H3,(H,23,24,25)
InChIKeyVSQWIEBRBIULSL-UHFFFAOYSA-N
XLogP3.10
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol (CID 122187395) is 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol is Cc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is VSQWIEBRBIULSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-7-8-19(17(2)15-16)23-21-18-5-3-4-6-20(18)24-22(25-21)27-11-9-26(10-12-27)13-14-28/h3-8,15,28H,9-14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 377.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,4-dimethylanilino)quinazolin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 122187395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).