2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine

C20H17F2N5 — CID 142126074

IUPAC2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccc(F)cc3F)nc3ccccc23)N=C1C
InChIInChI=1S/C20H17F2N5/c1-3-16-11(2)23-20(25-16)27-19-14-6-4-5-7-17(14)24-18(26-19)13-9-8-12(21)10-15(13)22/h4-10,16H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyYIFFOJLTXSCEEF-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.60
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine

2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine (PubChem CID 142126074) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine
PubChem CID142126074
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccc(F)cc3F)nc3ccccc23)N=C1C
InChIInChI=1S/C20H17F2N5/c1-3-16-11(2)23-20(25-16)27-19-14-6-4-5-7-17(14)24-18(26-19)13-9-8-12(21)10-15(13)22/h4-10,16H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyYIFFOJLTXSCEEF-UHFFFAOYSA-N
XLogP4.60
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine (CID 142126074) is 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine is CCC1N=C(Nc2nc(-c3ccc(F)cc3F)nc3ccccc23)N=C1C.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine?
The InChIKey is YIFFOJLTXSCEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5/c1-3-16-11(2)23-20(25-16)27-19-14-6-4-5-7-17(14)24-18(26-19)13-9-8-12(21)10-15(13)22/h4-10,16H,3H2,1-2H3,(H,24,25,26,27).
What are the key properties of 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine?
2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine has a molecular weight of 365.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 142126074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).