3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one

C23H19N5O2 — CID 66699691

IUPAC3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)n2c(=O)[nH]c3ncc(-c4cccc5ncccc45)nc32)cc1
InChIInChI=1S/C23H19N5O2/c1-14(15-8-10-16(30-2)11-9-15)28-22-21(27-23(28)29)25-13-20(26-22)18-5-3-7-19-17(18)6-4-12-24-19/h3-14H,1-2H3,(H,25,27,29)
InChIKeyFVTLLYFQCANCPM-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.95
Rot. Bonds4

About 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699691) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699691
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(C(C)n2c(=O)[nH]c3ncc(-c4cccc5ncccc45)nc32)cc1
InChIInChI=1S/C23H19N5O2/c1-14(15-8-10-16(30-2)11-9-15)28-22-21(27-23(28)29)25-13-20(26-22)18-5-3-7-19-17(18)6-4-12-24-19/h3-14H,1-2H3,(H,25,27,29)
InChIKeyFVTLLYFQCANCPM-UHFFFAOYSA-N
XLogP3.95
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984854
3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699594
3-(1-phenylethyl)-5-quinolin-5-yl-1H-imidazo[4,5-b]pyridin-2-one
CID 24984680
1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one
CID 66699767
5-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 126472296
3-[1-(4-chlorophenyl)ethyl]-5-[1-(4-methylsulfonylphenyl)-2-quinolin-5-ylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 67318843
5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 126475662
1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one
CID 126473251
3-N-[(4-methoxyphenyl)methyl]-5-quinolin-5-ylpyrazine-2,3-diamine
CID 66699817
3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984851
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699632
5-(2-methoxy-5-propan-2-ylphenyl)-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699734

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 66699691) is 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(C(C)n2c(=O)[nH]c3ncc(-c4cccc5ncccc45)nc32)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is FVTLLYFQCANCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14(15-8-10-16(30-2)11-9-15)28-22-21(27-23(28)29)25-13-20(26-22)18-5-3-7-19-17(18)6-4-12-24-19/h3-14H,1-2H3,(H,25,27,29).
What are the key properties of 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 397.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).