6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one

C18H23FN2O — CID 143841040

IUPAC6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one
SMILESNCCC1=CC(=O)Cc2cc3c(cc21)CCCN3CCCF
InChIInChI=1S/C18H23FN2O/c19-5-2-8-21-7-1-3-14-11-17-13(4-6-20)9-16(22)10-15(17)12-18(14)21/h9,11-12H,1-8,10,20H2
InChIKeyVAYUKHWCQIDBDS-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.66
Rot. Bonds5

About 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one

6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one (PubChem CID 143841040) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one
PubChem CID143841040
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one
SMILESNCCC1=CC(=O)Cc2cc3c(cc21)CCCN3CCCF
InChIInChI=1S/C18H23FN2O/c19-5-2-8-21-7-1-3-14-11-17-13(4-6-20)9-16(22)10-15(17)12-18(14)21/h9,11-12H,1-8,10,20H2
InChIKeyVAYUKHWCQIDBDS-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one?
The IUPAC name of 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one (CID 143841040) is 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one.
What is the SMILES notation for 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one?
The canonical SMILES for 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one is NCCC1=CC(=O)Cc2cc3c(cc21)CCCN3CCCF.
What is the InChIKey of 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one?
The InChIKey is VAYUKHWCQIDBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c19-5-2-8-21-7-1-3-14-11-17-13(4-6-20)9-16(22)10-15(17)12-18(14)21/h9,11-12H,1-8,10,20H2.
What are the key properties of 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one?
6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one has a molecular weight of 302.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1-(3-fluoropropyl)-2,3,4,9-tetrahydrobenzo[g]quinolin-8-one is sourced from PubChem (CID 143841040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).