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

C20H19FN2O — CID 14372838

IUPAC6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESFc1cccc2nc3c(c(NCCc4ccccc4)c12)CCCO3
InChIInChI=1S/C20H19FN2O/c21-16-9-4-10-17-18(16)19(15-8-5-13-24-20(15)23-17)22-12-11-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13H2,(H,22,23)
InChIKeyZFMJWAOMLPEQGL-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.35
Rot. Bonds4

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

6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine (PubChem CID 14372838) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
PubChem CID14372838
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
SMILESFc1cccc2nc3c(c(NCCc4ccccc4)c12)CCCO3
InChIInChI=1S/C20H19FN2O/c21-16-9-4-10-17-18(16)19(15-8-5-13-24-20(15)23-17)22-12-11-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13H2,(H,22,23)
InChIKeyZFMJWAOMLPEQGL-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The IUPAC name of 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine (CID 14372838) is 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine.
What is the SMILES notation for 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The canonical SMILES for 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine is Fc1cccc2nc3c(c(NCCc4ccccc4)c12)CCCO3.
What is the InChIKey of 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
The InChIKey is ZFMJWAOMLPEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c21-16-9-4-10-17-18(16)19(15-8-5-13-24-20(15)23-17)22-12-11-14-6-2-1-3-7-14/h1-4,6-7,9-10H,5,8,11-13H2,(H,22,23).
What are the key properties of 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine?
6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine has a molecular weight of 322.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-phenylethyl)-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine is sourced from PubChem (CID 14372838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).