2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one

C18H22N4O2 — CID 72882917

IUPAC2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN(CCO)Cc3nccn3C)cc(=O)c2c1
InChIInChI=1S/C18H22N4O2/c1-13-3-4-16-15(9-13)17(24)10-14(20-16)11-22(7-8-23)12-18-19-5-6-21(18)2/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,20,24)
InChIKeyCSKKYWLQKUETAV-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one

2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 72882917) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
PubChem CID72882917
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN(CCO)Cc3nccn3C)cc(=O)c2c1
InChIInChI=1S/C18H22N4O2/c1-13-3-4-16-15(9-13)17(24)10-14(20-16)11-22(7-8-23)12-18-19-5-6-21(18)2/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,20,24)
InChIKeyCSKKYWLQKUETAV-UHFFFAOYSA-N
XLogP1.56
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931387
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one
CID 135103590
2-[(1-methylimidazol-2-yl)methyl-[2-(5-methylpyrazol-1-yl)ethyl]amino]ethanol
CID 91842946
2-[(5-ethyl-2-pyridinyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 91759618
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
CID 72844498
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 56857963
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
1-[3-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-1H-pyrazol-5-yl]-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine
CID 24798816
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one (CID 72882917) is 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]c(CN(CCO)Cc3nccn3C)cc(=O)c2c1.
What is the InChIKey of 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is CSKKYWLQKUETAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-3-4-16-15(9-13)17(24)10-14(20-16)11-22(7-8-23)12-18-19-5-6-21(18)2/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one?
2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 72882917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).