N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine

C25H29FN2 — CID 163710810

IUPACN-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine
SMILESC=C(NC1CCC1)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(F)c1)N2
InChIInChI=1S/C25H29FN2/c1-17(27-21-8-5-9-21)18-10-11-23-22(15-18)25(12-2-3-13-25)16-24(28-23)19-6-4-7-20(26)14-19/h4,6-7,10-11,14-15,21,24,27-28H,1-3,5,8-9,12-13,16H2
InChIKeyKJAYHKJZTQWZCO-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.31
Rot. Bonds4

About N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine

N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine (PubChem CID 163710810) has the molecular formula C25H29FN2 and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine
PubChem CID163710810
Molecular FormulaC25H29FN2
Molecular Weight376.52 g/mol
Exact Mass376.23
IUPAC NameN-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine
SMILESC=C(NC1CCC1)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(F)c1)N2
InChIInChI=1S/C25H29FN2/c1-17(27-21-8-5-9-21)18-10-11-23-22(15-18)25(12-2-3-13-25)16-24(28-23)19-6-4-7-20(26)14-19/h4,6-7,10-11,14-15,21,24,27-28H,1-3,5,8-9,12-13,16H2
InChIKeyKJAYHKJZTQWZCO-UHFFFAOYSA-N
XLogP6.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine?
The IUPAC name of N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine (CID 163710810) is N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine.
What is the SMILES notation for N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine?
The canonical SMILES for N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine is C=C(NC1CCC1)c1ccc2c(c1)C1(CCCC1)CC(c1cccc(F)c1)N2.
What is the InChIKey of N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine?
The InChIKey is KJAYHKJZTQWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2/c1-17(27-21-8-5-9-21)18-10-11-23-22(15-18)25(12-2-3-13-25)16-24(28-23)19-6-4-7-20(26)14-19/h4,6-7,10-11,14-15,21,24,27-28H,1-3,5,8-9,12-13,16H2.
What are the key properties of N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine?
N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine has a molecular weight of 376.52 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopentane]-6-yl]ethenyl]cyclobutanamine is sourced from PubChem (CID 163710810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).