1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one

C28H24FN5O — CID 166923595

IUPAC1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2ccc(-c3nc(CNc4ccccc4F)[nH]c3-c3cccc(C)n3)cc2c1
InChIInChI=1S/C28H24FN5O/c1-3-25(35)20-14-19-13-18(11-12-22(19)30-15-20)27-28(24-10-6-7-17(2)32-24)34-26(33-27)16-31-23-9-5-4-8-21(23)29/h4-15,31H,3,16H2,1-2H3,(H,33,34)
InChIKeyFGQYZHNYGNXUIL-UHFFFAOYSA-N
MW465.53 g/mol
LogP6.34
Rot. Bonds7

About 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one

1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one (PubChem CID 166923595) has the molecular formula C28H24FN5O and a molecular weight of 465.53 g/mol. Its IUPAC name is 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one
PubChem CID166923595
Molecular FormulaC28H24FN5O
Molecular Weight465.53 g/mol
Exact Mass465.20
IUPAC Name1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one
SMILESCCC(=O)c1cnc2ccc(-c3nc(CNc4ccccc4F)[nH]c3-c3cccc(C)n3)cc2c1
InChIInChI=1S/C28H24FN5O/c1-3-25(35)20-14-19-13-18(11-12-22(19)30-15-20)27-28(24-10-6-7-17(2)32-24)34-26(33-27)16-31-23-9-5-4-8-21(23)29/h4-15,31H,3,16H2,1-2H3,(H,33,34)
InChIKeyFGQYZHNYGNXUIL-UHFFFAOYSA-N
XLogP6.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one?
The IUPAC name of 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one (CID 166923595) is 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one is CCC(=O)c1cnc2ccc(-c3nc(CNc4ccccc4F)[nH]c3-c3cccc(C)n3)cc2c1.
What is the InChIKey of 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one?
The InChIKey is FGQYZHNYGNXUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O/c1-3-25(35)20-14-19-13-18(11-12-22(19)30-15-20)27-28(24-10-6-7-17(2)32-24)34-26(33-27)16-31-23-9-5-4-8-21(23)29/h4-15,31H,3,16H2,1-2H3,(H,33,34).
What are the key properties of 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one?
1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one has a molecular weight of 465.53 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]propan-1-one is sourced from PubChem (CID 166923595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).