[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone

C20H18ClN3O2 — CID 133133594

IUPAC[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2c(Cl)cccc12)N1CC[C@@H]2CNC[C@@H]21
InChIInChI=1S/C20H18ClN3O2/c21-15-4-1-3-13-14(9-16(23-19(13)15)18-5-2-8-26-18)20(25)24-7-6-12-10-22-11-17(12)24/h1-5,8-9,12,17,22H,6-7,10-11H2/t12-,17+/m1/s1
InChIKeyACYDPSZKYZNUAH-PXAZEXFGSA-N
MW367.84 g/mol
LogP3.58
Rot. Bonds2

About [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone

[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone (PubChem CID 133133594) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone
PubChem CID133133594
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2c(Cl)cccc12)N1CC[C@@H]2CNC[C@@H]21
InChIInChI=1S/C20H18ClN3O2/c21-15-4-1-3-13-14(9-16(23-19(13)15)18-5-2-8-26-18)20(25)24-7-6-12-10-22-11-17(12)24/h1-5,8-9,12,17,22H,6-7,10-11H2/t12-,17+/m1/s1
InChIKeyACYDPSZKYZNUAH-PXAZEXFGSA-N
XLogP3.58
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

8-chloro-2-(furan-2-yl)quinoline-4-carboxylic acid
CID 3853520
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-naphthalen-1-ylmethanone
CID 43594720
3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl-(3-chlorofuran-2-yl)methanone
CID 68602313
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dichlorophenyl)methanone
CID 43594594
8-chloro-2-(furan-2-yl)-N-(2-oxoazepan-3-yl)quinoline-4-carboxamide
CID 156607428
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 70768563
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 133120312
8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67206871
8-chloro-2-(furan-2-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)quinoline-4-carboxamide
CID 72866594
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80640867
8-chloro-2-(furan-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]quinoline-4-carboxamide
CID 97130383
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2-fluorophenyl)methanone
CID 43594596

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone?
The IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone (CID 133133594) is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone is O=C(c1cc(-c2ccco2)nc2c(Cl)cccc12)N1CC[C@@H]2CNC[C@@H]21.
What is the InChIKey of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone?
The InChIKey is ACYDPSZKYZNUAH-PXAZEXFGSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-4-1-3-13-14(9-16(23-19(13)15)18-5-2-8-26-18)20(25)24-7-6-12-10-22-11-17(12)24/h1-5,8-9,12,17,22H,6-7,10-11H2/t12-,17+/m1/s1.
What are the key properties of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone?
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone has a molecular weight of 367.84 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[8-chloro-2-(furan-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 133133594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).