3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine

C25H28FN3O2 — CID 24823983

IUPAC3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine
SMILESCc1ccc2c3c(ccc2n1)OCC(CNCCCN1CCCc2ccc(F)cc21)O3
InChIInChI=1S/C25H28FN3O2/c1-17-5-8-21-22(28-17)9-10-24-25(21)31-20(16-30-24)15-27-11-3-13-29-12-2-4-18-6-7-19(26)14-23(18)29/h5-10,14,20,27H,2-4,11-13,15-16H2,1H3
InChIKeyRXNVIQRIZLIKMP-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.25
Rot. Bonds6

About 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine

3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine (PubChem CID 24823983) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine
PubChem CID24823983
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine
SMILESCc1ccc2c3c(ccc2n1)OCC(CNCCCN1CCCc2ccc(F)cc21)O3
InChIInChI=1S/C25H28FN3O2/c1-17-5-8-21-22(28-17)9-10-24-25(21)31-20(16-30-24)15-27-11-3-13-29-12-2-4-18-6-7-19(26)14-23(18)29/h5-10,14,20,27H,2-4,11-13,15-16H2,1H3
InChIKeyRXNVIQRIZLIKMP-UHFFFAOYSA-N
XLogP4.25
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine (CID 24823983) is 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine is Cc1ccc2c3c(ccc2n1)OCC(CNCCCN1CCCc2ccc(F)cc21)O3.
What is the InChIKey of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine?
The InChIKey is RXNVIQRIZLIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-17-5-8-21-22(28-17)9-10-24-25(21)31-20(16-30-24)15-27-11-3-13-29-12-2-4-18-6-7-19(26)14-23(18)29/h5-10,14,20,27H,2-4,11-13,15-16H2,1H3.
What are the key properties of 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine?
3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine has a molecular weight of 421.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 24823983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).