N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide

C26H17ClF2N4O2 — CID 171545112

IUPACN-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESO=C1NC(c2cc(F)ccc2Cl)c2c(NC(=O)N3CCc4cc(F)ccc43)cc3ncccc3c21
InChIInChI=1S/C26H17ClF2N4O2/c27-18-5-3-15(29)11-17(18)24-23-20(12-19-16(2-1-8-30-19)22(23)25(34)32-24)31-26(35)33-9-7-13-10-14(28)4-6-21(13)33/h1-6,8,10-12,24H,7,9H2,(H,31,35)(H,32,34)
InChIKeyLWYQVBQAYUNSCD-UHFFFAOYSA-N
MW490.90 g/mol
LogP5.59
Rot. Bonds2

About N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide

N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide (PubChem CID 171545112) has the molecular formula C26H17ClF2N4O2 and a molecular weight of 490.90 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
PubChem CID171545112
Molecular FormulaC26H17ClF2N4O2
Molecular Weight490.90 g/mol
Exact Mass490.10
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
SMILESO=C1NC(c2cc(F)ccc2Cl)c2c(NC(=O)N3CCc4cc(F)ccc43)cc3ncccc3c21
InChIInChI=1S/C26H17ClF2N4O2/c27-18-5-3-15(29)11-17(18)24-23-20(12-19-16(2-1-8-30-19)22(23)25(34)32-24)31-26(35)33-9-7-13-10-14(28)4-6-21(13)33/h1-6,8,10-12,24H,7,9H2,(H,31,35)(H,32,34)
InChIKeyLWYQVBQAYUNSCD-UHFFFAOYSA-N
XLogP5.59
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.90
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 176619961
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-2,3-dihydroindole-1-carboxamide
CID 166821699
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-fluoro-2,3-dihydroindole-1-carboxamide
CID 166822655
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-(trifluoromethoxy)-2,3-dihydroindole-1-carboxamide
CID 176618897
(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176619740
5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
CID 167909360
N-[3-(2-chloro-5-fluorophenyl)-1,7-dioxo-3,6-dihydro-2H-pyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-3-hydroxy-3-(trifluoromethyl)-2H-indole-1-carboxamide
CID 170750314
(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176618853
N-[(3S)-6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4-methylpiperazine-1-carboxamide
CID 176620101
(3R)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-4,5-difluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176620208
(6R)-N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166822855
(3R)-N-[(3S)-6-chloro-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-3-(trifluoromethyl)-2H-indole-1-carboxamide
CID 176620140

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide (CID 171545112) is N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide is O=C1NC(c2cc(F)ccc2Cl)c2c(NC(=O)N3CCc4cc(F)ccc43)cc3ncccc3c21.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
The InChIKey is LWYQVBQAYUNSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF2N4O2/c27-18-5-3-15(29)11-17(18)24-23-20(12-19-16(2-1-8-30-19)22(23)25(34)32-24)31-26(35)33-9-7-13-10-14(28)4-6-21(13)33/h1-6,8,10-12,24H,7,9H2,(H,31,35)(H,32,34).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide?
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide has a molecular weight of 490.90 g/mol, XLogP of 5.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydropyrrolo[3,4-f]quinolin-4-yl]-5-fluoro-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 171545112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).