2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol

C20H24N6O — CID 163815086

IUPAC2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
SMILESCc1ccc2c(N3CCN(c4ccnc(NCCO)n4)CC3)ccnc2c1
InChIInChI=1S/C20H24N6O/c1-15-2-3-16-17(14-15)21-6-4-18(16)25-9-11-26(12-10-25)19-5-7-22-20(24-19)23-8-13-27/h2-7,14,27H,8-13H2,1H3,(H,22,23,24)
InChIKeyTWRGYDLJNYQGEP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.06
Rot. Bonds5

About 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 163815086) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID163815086
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
SMILESCc1ccc2c(N3CCN(c4ccnc(NCCO)n4)CC3)ccnc2c1
InChIInChI=1S/C20H24N6O/c1-15-2-3-16-17(14-15)21-6-4-18(16)25-9-11-26(12-10-25)19-5-7-22-20(24-19)23-8-13-27/h2-7,14,27H,8-13H2,1H3,(H,22,23,24)
InChIKeyTWRGYDLJNYQGEP-UHFFFAOYSA-N
XLogP2.06
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol (CID 163815086) is 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol is Cc1ccc2c(N3CCN(c4ccnc(NCCO)n4)CC3)ccnc2c1.
What is the InChIKey of 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is TWRGYDLJNYQGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-2-3-16-17(14-15)21-6-4-18(16)25-9-11-26(12-10-25)19-5-7-22-20(24-19)23-8-13-27/h2-7,14,27H,8-13H2,1H3,(H,22,23,24).
What are the key properties of 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 364.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 163815086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).