8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C22H14F3N5O — CID 118077871

IUPAC8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESNc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)14-2-1-3-15(9-14)30-20-16-8-12(13-5-7-19(26)28-10-13)4-6-17(16)27-11-18(20)29-21(30)31/h1-11H,(H2,26,28)(H,29,31)
InChIKeyVHVHYFRLWMDKSX-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.53
Rot. Bonds2

About 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118077871) has the molecular formula C22H14F3N5O and a molecular weight of 421.38 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118077871
Molecular FormulaC22H14F3N5O
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESNc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)14-2-1-3-15(9-14)30-20-16-8-12(13-5-7-19(26)28-10-13)4-6-17(16)27-11-18(20)29-21(30)31/h1-11H,(H2,26,28)(H,29,31)
InChIKeyVHVHYFRLWMDKSX-UHFFFAOYSA-N
XLogP4.53
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118077871) is 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is Nc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is VHVHYFRLWMDKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O/c23-22(24,25)14-2-1-3-15(9-14)30-20-16-8-12(13-5-7-19(26)28-10-13)4-6-17(16)27-11-18(20)29-21(30)31/h1-11H,(H2,26,28)(H,29,31).
What are the key properties of 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 421.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118077871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).