8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one

C19H14BrFN4O — CID 146212101

IUPAC8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CN(c3cccnc3)C2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C19H14BrFN4O/c1-24-16-8-23-15-6-14(21)13(20)5-12(15)17(16)19(18(24)26)9-25(10-19)11-3-2-4-22-7-11/h2-8H,9-10H2,1H3
InChIKeyTZIYKEYXJVJMKY-UHFFFAOYSA-N
MW413.25 g/mol
LogP3.27
Rot. Bonds1

About 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one

8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (PubChem CID 146212101) has the molecular formula C19H14BrFN4O and a molecular weight of 413.25 g/mol. Its IUPAC name is 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.

Molecular Properties

Compound Name8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
PubChem CID146212101
Molecular FormulaC19H14BrFN4O
Molecular Weight413.25 g/mol
Exact Mass412.03
IUPAC Name8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
SMILESCN1C(=O)C2(CN(c3cccnc3)C2)c2c1cnc1cc(F)c(Br)cc21
InChIInChI=1S/C19H14BrFN4O/c1-24-16-8-23-15-6-14(21)13(20)5-12(15)17(16)19(18(24)26)9-25(10-19)11-3-2-4-22-7-11/h2-8H,9-10H2,1H3
InChIKeyTZIYKEYXJVJMKY-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8'-bromo-7'-fluoro-3'-methyl-1-phenylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one;8'-bromo-7'-fluoro-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one;molecular hydrogen;phenylboronic acid
CID 167552120
8'-bromo-7'-fluoro-3'-methylspiro[oxetane-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146211674
8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146211646
8'-bromo-7'-fluoro-3'-methyl-1-(1-methylpiperidin-4-yl)spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 165373959
3-anilino-8'-bromo-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146211512
8'-bromo-3-(ethoxymethyl)-7'-fluoro-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212590
8'-bromo-1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7'-fluoro-3'-methylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146212283
N-[5-[7'-fluoro-1-(3-methoxyphenyl)-3'-methyl-2'-oxospiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
CID 146212041
N-[5-[7'-fluoro-3'-methyl-2'-oxo-1-[3-(trifluoromethyl)phenyl]spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
CID 146212749
N-[5-[7'-fluoro-3'-methyl-2'-oxo-1-[4-(trifluoromethyl)phenyl]spiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
CID 146212748
N-[5-(7'-fluoro-3'-methyl-2'-oxo-3-pyridin-3-ylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-[2-(propan-2-ylamino)ethoxy]-3-pyridinyl]methanesulfonamide
CID 146211649
8-bromo-7-fluoro-3'-(2-methoxy-4-pyridinyl)spiro[3H-pyrrolo[2,3-c]quinoline-1,1'-cyclobutane]-2-one
CID 146211533

Frequently Asked Questions

What is the IUPAC name of 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The IUPAC name of 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one (CID 146212101) is 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one.
What is the SMILES notation for 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The canonical SMILES for 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is CN1C(=O)C2(CN(c3cccnc3)C2)c2c1cnc1cc(F)c(Br)cc21.
What is the InChIKey of 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
The InChIKey is TZIYKEYXJVJMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4O/c1-24-16-8-23-15-6-14(21)13(20)5-12(15)17(16)19(18(24)26)9-25(10-19)11-3-2-4-22-7-11/h2-8H,9-10H2,1H3.
What are the key properties of 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one?
8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one has a molecular weight of 413.25 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-bromo-7'-fluoro-3'-methyl-1-pyridin-3-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-2'-one is sourced from PubChem (CID 146212101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).