2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol

C21H25N5O — CID 50973799

IUPAC2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESCCc1cnc(C)nc1N1CCN(Cc2ccc3cccc(O)c3n2)CC1
InChIInChI=1S/C21H25N5O/c1-3-16-13-22-15(2)23-21(16)26-11-9-25(10-12-26)14-18-8-7-17-5-4-6-19(27)20(17)24-18/h4-8,13,27H,3,9-12,14H2,1-2H3
InChIKeyAWHQVYFRELEELE-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.92
Rot. Bonds4

About 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol

2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 50973799) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID50973799
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESCCc1cnc(C)nc1N1CCN(Cc2ccc3cccc(O)c3n2)CC1
InChIInChI=1S/C21H25N5O/c1-3-16-13-22-15(2)23-21(16)26-11-9-25(10-12-26)14-18-8-7-17-5-4-6-19(27)20(17)24-18/h4-8,13,27H,3,9-12,14H2,1-2H3
InChIKeyAWHQVYFRELEELE-UHFFFAOYSA-N
XLogP2.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol with MolForge

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Related Compounds

tert-butyl 2-[4-[(8-hydroxyquinolin-2-yl)methyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 101465965
(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95221775
CID 10695390
CID 10695390
2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
CID 95215735
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70762499
5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 77096181
1-[4-[(5-ethyl-2-pyridinyl)methyl]piperazin-1-yl]isoquinoline
CID 50950975
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
2-[(5Z)-7-(carboxymethyl)-4-[(8-hydroxyquinolin-2-yl)methyl]-1,4,7,10-tetrazacyclododec-5-en-1-yl]acetic acid
CID 162768440
2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine
CID 50984336
[(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70779426

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol (CID 50973799) is 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol is CCc1cnc(C)nc1N1CCN(Cc2ccc3cccc(O)c3n2)CC1.
What is the InChIKey of 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is AWHQVYFRELEELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-16-13-22-15(2)23-21(16)26-11-9-25(10-12-26)14-18-8-7-17-5-4-6-19(27)20(17)24-18/h4-8,13,27H,3,9-12,14H2,1-2H3.
What are the key properties of 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol?
2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 363.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 50973799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).