8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one

C34H34Br2F2N6O4 — CID 159491069

IUPAC8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCO[C@@H]1CC[C@H](n2c(=O)n(C)c3cnc4cc(F)c(Br)cc4c32)C1.CO[C@H]1CC[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(Br)cc4c32)C1
InChIInChI=1S/2C17H17BrFN3O2/c2*1-21-15-8-20-14-7-13(19)12(18)6-11(14)16(15)22(17(21)23)9-3-4-10(5-9)24-2/h2*6-10H,3-5H2,1-2H3/t2*9-,10+/m10/s1
InChIKeyLYEVPUZAEVAPPN-HNOCIFQMSA-N
MW788.49 g/mol
LogP7.06
Rot. Bonds4

About 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 159491069) has the molecular formula C34H34Br2F2N6O4 and a molecular weight of 788.49 g/mol. Its IUPAC name is 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID159491069
Molecular FormulaC34H34Br2F2N6O4
Molecular Weight788.49 g/mol
Exact Mass786.10
IUPAC Name8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCO[C@@H]1CC[C@H](n2c(=O)n(C)c3cnc4cc(F)c(Br)cc4c32)C1.CO[C@H]1CC[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(Br)cc4c32)C1
InChIInChI=1S/2C17H17BrFN3O2/c2*1-21-15-8-20-14-7-13(19)12(18)6-11(14)16(15)22(17(21)23)9-3-4-10(5-9)24-2/h2*6-10H,3-5H2,1-2H3/t2*9-,10+/m10/s1
InChIKeyLYEVPUZAEVAPPN-HNOCIFQMSA-N
XLogP7.06
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
CID 145305802
8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523399
8-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104397
7-fluoro-1-(3-methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118523351
8-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-1-[(1S,3S)-3-methoxycyclohexyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 129104514
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647
8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 123265090
8-bromo-7-fluoro-3'-methoxyspiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146212075
[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
CID 138470098
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212590
1-cyclopropyl-8-[5-[(2-cyclopropyl-1,3,2-dioxathietan-2-yl)amino]-6-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 145365340

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 159491069) is 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one is CO[C@@H]1CC[C@H](n2c(=O)n(C)c3cnc4cc(F)c(Br)cc4c32)C1.CO[C@H]1CC[C@@H](n2c(=O)n(C)c3cnc4cc(F)c(Br)cc4c32)C1.
What is the InChIKey of 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is LYEVPUZAEVAPPN-HNOCIFQMSA-N. The full InChI is InChI=1S/2C17H17BrFN3O2/c2*1-21-15-8-20-14-7-13(19)12(18)6-11(14)16(15)22(17(21)23)9-3-4-10(5-9)24-2/h2*6-10H,3-5H2,1-2H3/t2*9-,10+/m10/s1.
What are the key properties of 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 788.49 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 159491069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).