N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine

C23H14F3N3 — CID 139033649

IUPACN-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine
SMILESFC(F)(F)c1cc(Nc2cccc3cccnc23)c2ncc3ccccc3c2c1
InChIInChI=1S/C23H14F3N3/c24-23(25,26)16-11-18-17-8-2-1-5-15(17)13-28-22(18)20(12-16)29-19-9-3-6-14-7-4-10-27-21(14)19/h1-13,29H
InChIKeyQRKOIBCCUYRPCZ-UHFFFAOYSA-N
MW389.38 g/mol
LogP6.70
Rot. Bonds2

About N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine

N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine (PubChem CID 139033649) has the molecular formula C23H14F3N3 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine.

Molecular Properties

Compound NameN-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine
PubChem CID139033649
Molecular FormulaC23H14F3N3
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC NameN-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine
SMILESFC(F)(F)c1cc(Nc2cccc3cccnc23)c2ncc3ccccc3c2c1
InChIInChI=1S/C23H14F3N3/c24-23(25,26)16-11-18-17-8-2-1-5-15(17)13-28-22(18)20(12-16)29-19-9-3-6-14-7-4-10-27-21(14)19/h1-13,29H
InChIKeyQRKOIBCCUYRPCZ-UHFFFAOYSA-N
XLogP6.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine?
The IUPAC name of N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine (CID 139033649) is N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine.
What is the SMILES notation for N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine?
The canonical SMILES for N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine is FC(F)(F)c1cc(Nc2cccc3cccnc23)c2ncc3ccccc3c2c1.
What is the InChIKey of N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine?
The InChIKey is QRKOIBCCUYRPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3/c24-23(25,26)16-11-18-17-8-2-1-5-15(17)13-28-22(18)20(12-16)29-19-9-3-6-14-7-4-10-27-21(14)19/h1-13,29H.
What are the key properties of N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine?
N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine has a molecular weight of 389.38 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-2-(trifluoromethyl)phenanthridin-4-amine is sourced from PubChem (CID 139033649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).