6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline

C19H24FN3 — CID 166682821

IUPAC6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline
SMILESCC(C)N1CCC2CN(c3ccnc4ccc(F)cc34)CC2C1
InChIInChI=1S/C19H24FN3/c1-13(2)22-8-6-14-10-23(12-15(14)11-22)19-5-7-21-18-4-3-16(20)9-17(18)19/h3-5,7,9,13-15H,6,8,10-12H2,1-2H3
InChIKeyUYKJPSKYUBWZDD-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.54
Rot. Bonds2

About 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline

6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline (PubChem CID 166682821) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline
PubChem CID166682821
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline
SMILESCC(C)N1CCC2CN(c3ccnc4ccc(F)cc34)CC2C1
InChIInChI=1S/C19H24FN3/c1-13(2)22-8-6-14-10-23(12-15(14)11-22)19-5-7-21-18-4-3-16(20)9-17(18)19/h3-5,7,9,13-15H,6,8,10-12H2,1-2H3
InChIKeyUYKJPSKYUBWZDD-UHFFFAOYSA-N
XLogP3.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline with MolForge

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Related Compounds

(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
4-(1,4-diazepan-1-yl)-6-fluoroquinoline
CID 53399075
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
4-(4-ethenylsulfonylpiperazin-1-yl)-6-fluoroquinoline
CID 174207411
methyl 4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]quinoline-6-carboxylate
CID 155961103
tert-butyl N-[3-(6-fluoroquinolin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 153288878
2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
CID 152583849

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline?
The IUPAC name of 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline (CID 166682821) is 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline.
What is the SMILES notation for 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline?
The canonical SMILES for 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline is CC(C)N1CCC2CN(c3ccnc4ccc(F)cc34)CC2C1.
What is the InChIKey of 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline?
The InChIKey is UYKJPSKYUBWZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-13(2)22-8-6-14-10-23(12-15(14)11-22)19-5-7-21-18-4-3-16(20)9-17(18)19/h3-5,7,9,13-15H,6,8,10-12H2,1-2H3.
What are the key properties of 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline?
6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline has a molecular weight of 313.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)quinoline is sourced from PubChem (CID 166682821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).