N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine

C27H24F2N2O2 — CID 54099988

IUPACN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine
SMILESFc1ccc(C(OCCNc2c3c(nc4ccccc24)CCCO3)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H24F2N2O2/c28-20-11-7-18(8-12-20)26(19-9-13-21(29)14-10-19)33-17-15-30-25-22-4-1-2-5-23(22)31-24-6-3-16-32-27(24)25/h1-2,4-5,7-14,26H,3,6,15-17H2,(H,30,31)
InChIKeyMZWNVJPNQKMYSZ-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.06
Rot. Bonds7

About N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine

N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine (PubChem CID 54099988) has the molecular formula C27H24F2N2O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine.

Molecular Properties

Compound NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine
PubChem CID54099988
Molecular FormulaC27H24F2N2O2
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC NameN-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine
SMILESFc1ccc(C(OCCNc2c3c(nc4ccccc24)CCCO3)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H24F2N2O2/c28-20-11-7-18(8-12-20)26(19-9-13-21(29)14-10-19)33-17-15-30-25-22-4-1-2-5-23(22)31-24-6-3-16-32-27(24)25/h1-2,4-5,7-14,26H,3,6,15-17H2,(H,30,31)
InChIKeyMZWNVJPNQKMYSZ-UHFFFAOYSA-N
XLogP6.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine?
The IUPAC name of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine (CID 54099988) is N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine.
What is the SMILES notation for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine?
The canonical SMILES for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine is Fc1ccc(C(OCCNc2c3c(nc4ccccc24)CCCO3)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine?
The InChIKey is MZWNVJPNQKMYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O2/c28-20-11-7-18(8-12-20)26(19-9-13-21(29)14-10-19)33-17-15-30-25-22-4-1-2-5-23(22)31-24-6-3-16-32-27(24)25/h1-2,4-5,7-14,26H,3,6,15-17H2,(H,30,31).
What are the key properties of N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine?
N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine has a molecular weight of 446.50 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-fluorophenyl)methoxy]ethyl]-3,4-dihydro-2H-pyrano[3,2-b]quinolin-10-amine is sourced from PubChem (CID 54099988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).