6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine

C21H21FN2O — CID 57084486

IUPAC6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESFc1cccc2nc3c(c(NCCCc4ccccc4)c12)CCCO3
InChIInChI=1S/C21H21FN2O/c22-17-11-4-12-18-19(17)20(16-10-6-14-25-21(16)24-18)23-13-5-9-15-7-2-1-3-8-15/h1-4,7-8,11-12H,5-6,9-10,13-14H2,(H,23,24)
InChIKeyACJCWSFUHNWODR-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.74
Rot. Bonds5

About 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine

6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine (PubChem CID 57084486) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
PubChem CID57084486
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESFc1cccc2nc3c(c(NCCCc4ccccc4)c12)CCCO3
InChIInChI=1S/C21H21FN2O/c22-17-11-4-12-18-19(17)20(16-10-6-14-25-21(16)24-18)23-13-5-9-15-7-2-1-3-8-15/h1-4,7-8,11-12H,5-6,9-10,13-14H2,(H,23,24)
InChIKeyACJCWSFUHNWODR-UHFFFAOYSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The IUPAC name of 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine (CID 57084486) is 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine.
What is the SMILES notation for 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The canonical SMILES for 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine is Fc1cccc2nc3c(c(NCCCc4ccccc4)c12)CCCO3.
What is the InChIKey of 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The InChIKey is ACJCWSFUHNWODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-17-11-4-12-18-19(17)20(16-10-6-14-25-21(16)24-18)23-13-5-9-15-7-2-1-3-8-15/h1-4,7-8,11-12H,5-6,9-10,13-14H2,(H,23,24).
What are the key properties of 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine has a molecular weight of 336.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenylpropyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine is sourced from PubChem (CID 57084486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).