4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol

C25H19F3N4O — CID 69156701

IUPAC4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol
SMILESNCCc1ccc(-n2cnc3cnc4ccc(-c5ccc(O)cc5)cc4c32)c(C(F)(F)F)c1
InChIInChI=1S/C25H19F3N4O/c26-25(27,28)20-11-15(9-10-29)1-8-23(20)32-14-31-22-13-30-21-7-4-17(12-19(21)24(22)32)16-2-5-18(33)6-3-16/h1-8,11-14,33H,9-10,29H2
InChIKeySPZVNAUJMLWNLX-UHFFFAOYSA-N
MW448.45 g/mol
LogP5.47
Rot. Bonds4

About 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol

4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol (PubChem CID 69156701) has the molecular formula C25H19F3N4O and a molecular weight of 448.45 g/mol. Its IUPAC name is 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol.

Molecular Properties

Compound Name4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol
PubChem CID69156701
Molecular FormulaC25H19F3N4O
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol
SMILESNCCc1ccc(-n2cnc3cnc4ccc(-c5ccc(O)cc5)cc4c32)c(C(F)(F)F)c1
InChIInChI=1S/C25H19F3N4O/c26-25(27,28)20-11-15(9-10-29)1-8-23(20)32-14-31-22-13-30-21-7-4-17(12-19(21)24(22)32)16-2-5-18(33)6-3-16/h1-8,11-14,33H,9-10,29H2
InChIKeySPZVNAUJMLWNLX-UHFFFAOYSA-N
XLogP5.47
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol?
The IUPAC name of 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol (CID 69156701) is 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol.
What is the SMILES notation for 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol?
The canonical SMILES for 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol is NCCc1ccc(-n2cnc3cnc4ccc(-c5ccc(O)cc5)cc4c32)c(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol?
The InChIKey is SPZVNAUJMLWNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O/c26-25(27,28)20-11-15(9-10-29)1-8-23(20)32-14-31-22-13-30-21-7-4-17(12-19(21)24(22)32)16-2-5-18(33)6-3-16/h1-8,11-14,33H,9-10,29H2.
What are the key properties of 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol?
4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol has a molecular weight of 448.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-aminoethyl)-2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]phenol is sourced from PubChem (CID 69156701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).