1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one

C23H21BrN4O2 — CID 137498167

IUPAC1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(Cn2c(CN3CCCC3=O)nc3cnc4cc(Br)ccc4c32)cc1
InChIInChI=1S/C23H21BrN4O2/c1-30-17-7-4-15(5-8-17)13-28-21(14-27-10-2-3-22(27)29)26-20-12-25-19-11-16(24)6-9-18(19)23(20)28/h4-9,11-12H,2-3,10,13-14H2,1H3
InChIKeyCMPZZWILVOFBAI-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.53
Rot. Bonds5

About 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one

1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 137498167) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
PubChem CID137498167
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC Name1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(Cn2c(CN3CCCC3=O)nc3cnc4cc(Br)ccc4c32)cc1
InChIInChI=1S/C23H21BrN4O2/c1-30-17-7-4-15(5-8-17)13-28-21(14-27-10-2-3-22(27)29)26-20-12-25-19-11-16(24)6-9-18(19)23(20)28/h4-9,11-12H,2-3,10,13-14H2,1H3
InChIKeyCMPZZWILVOFBAI-UHFFFAOYSA-N
XLogP4.53
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
2-(4-Bromo-phenyl)-1-(4-methoxy-benzyl)-1H-imidazo[1,2-a]pyridin-4-ylium
CID 12005561
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 122445670
2-(4-Bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-3-ium bromide
CID 15945051
3,5-Bis[(4-methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]quinolin-5-ium
CID 53257973
3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 122445633
5-[5-(4-bromophenyl)-1-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 68182256
2-(4-Bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
CID 2311083
3-{3-[(4-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}-N-phenylpropanamide
CID 6619626
[2-(5-Bromo-1-methylindol-3-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
CID 122181297
N-(4-Bromo-3-methylphenyl)-3-{3-[(4-methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}propanamide
CID 16009007

Frequently Asked Questions

What is the IUPAC name of 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one (CID 137498167) is 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one is COc1ccc(Cn2c(CN3CCCC3=O)nc3cnc4cc(Br)ccc4c32)cc1.
What is the InChIKey of 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is CMPZZWILVOFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-30-17-7-4-15(5-8-17)13-28-21(14-27-10-2-3-22(27)29)26-20-12-25-19-11-16(24)6-9-18(19)23(20)28/h4-9,11-12H,2-3,10,13-14H2,1H3.
What are the key properties of 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one?
1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 465.35 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-bromo-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 137498167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).