7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one

C24H22N4O2 — CID 158658096

IUPAC7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(-c3nc4cccc(C)n4c3CCc3ccc[nH]3)c(=O)[nH]c2c1
InChIInChI=1S/C24H22N4O2/c1-15-5-3-7-22-27-23(21(28(15)22)11-9-17-6-4-12-25-17)19-13-16-8-10-18(30-2)14-20(16)26-24(19)29/h3-8,10,12-14,25H,9,11H2,1-2H3,(H,26,29)
InChIKeyICKDUNJUCATTAB-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.27
Rot. Bonds5

About 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one

7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 158658096) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID158658096
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(-c3nc4cccc(C)n4c3CCc3ccc[nH]3)c(=O)[nH]c2c1
InChIInChI=1S/C24H22N4O2/c1-15-5-3-7-22-27-23(21(28(15)22)11-9-17-6-4-12-25-17)19-13-16-8-10-18(30-2)14-20(16)26-24(19)29/h3-8,10,12-14,25H,9,11H2,1-2H3,(H,26,29)
InChIKeyICKDUNJUCATTAB-UHFFFAOYSA-N
XLogP4.27
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-[5-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one
CID 1433270
3-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
CID 1433253
3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride
CID 154922122
3-[6-chloro-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one
CID 1433274
3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-7-methoxy-1H-quinolin-2-one
CID 142273118
3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
CID 945708
3-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;formic acid
CID 154923830
6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 143773986
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one (CID 158658096) is 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one is COc1ccc2cc(-c3nc4cccc(C)n4c3CCc3ccc[nH]3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is ICKDUNJUCATTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-5-3-7-22-27-23(21(28(15)22)11-9-17-6-4-12-25-17)19-13-16-8-10-18(30-2)14-20(16)26-24(19)29/h3-8,10,12-14,25H,9,11H2,1-2H3,(H,26,29).
What are the key properties of 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one?
7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 398.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[5-methyl-3-[2-(1H-pyrrol-2-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 158658096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).