methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate

C19H19FN2O4 — CID 162627912

IUPACmethyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
SMILESCOC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(C)nc3cc(F)ccc13)C2
InChIInChI=1S/C19H19FN2O4/c1-11-5-15(14-4-3-13(20)6-16(14)21-11)17(23)22-7-12-8-26-10-19(12,9-22)18(24)25-2/h3-6,12H,7-10H2,1-2H3/t12-,19-/m0/s1
InChIKeyRVKLKPIBUIGPGM-BUXKBTBVSA-N
MW358.37 g/mol
LogP1.94
Rot. Bonds2

About methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate

methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate (PubChem CID 162627912) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate.

Molecular Properties

Compound Namemethyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
PubChem CID162627912
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namemethyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
SMILESCOC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(C)nc3cc(F)ccc13)C2
InChIInChI=1S/C19H19FN2O4/c1-11-5-15(14-4-3-13(20)6-16(14)21-11)17(23)22-7-12-8-26-10-19(12,9-22)18(24)25-2/h3-6,12H,7-10H2,1-2H3/t12-,19-/m0/s1
InChIKeyRVKLKPIBUIGPGM-BUXKBTBVSA-N
XLogP1.94
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3aS,6aS)-5-(5-chloro-2-fluorobenzoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 163309462
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70732609
methyl (3aS,6aS)-5-(4-chloro-2-methoxybenzoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162638715
methyl (3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162626109
methyl (3aS,6aS)-5-(1-benzofuran-2-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162625602
methyl (3aS,6aS)-5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 164690604
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
methyl (3aS,6aS)-5-(3-cyclopropyl-1,2-oxazole-5-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162630487
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709661

Frequently Asked Questions

What is the IUPAC name of methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
The IUPAC name of methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate (CID 162627912) is methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate.
What is the SMILES notation for methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
The canonical SMILES for methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate is COC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(C)nc3cc(F)ccc13)C2.
What is the InChIKey of methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
The InChIKey is RVKLKPIBUIGPGM-BUXKBTBVSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-11-5-15(14-4-3-13(20)6-16(14)21-11)17(23)22-7-12-8-26-10-19(12,9-22)18(24)25-2/h3-6,12H,7-10H2,1-2H3/t12-,19-/m0/s1.
What are the key properties of methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate?
methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate has a molecular weight of 358.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aS,6aS)-5-(7-fluoro-2-methylquinoline-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate is sourced from PubChem (CID 162627912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).