6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine

C23H20FN3O — CID 171343445

IUPAC6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOc1ccccc1-c1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C23H20FN3O/c1-28-22-5-3-2-4-19(22)17-8-6-16(7-9-17)12-13-25-23-20-14-18(24)10-11-21(20)26-15-27-23/h2-11,14-15H,12-13H2,1H3,(H,25,26,27)
InChIKeyMMOLLMBOFBBVHK-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.10
Rot. Bonds6

About 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine

6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 171343445) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID171343445
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOc1ccccc1-c1ccc(CCNc2ncnc3ccc(F)cc23)cc1
InChIInChI=1S/C23H20FN3O/c1-28-22-5-3-2-4-19(22)17-8-6-16(7-9-17)12-13-25-23-20-14-18(24)10-11-21(20)26-15-27-23/h2-11,14-15H,12-13H2,1H3,(H,25,26,27)
InChIKeyMMOLLMBOFBBVHK-UHFFFAOYSA-N
XLogP5.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine (CID 171343445) is 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine is COc1ccccc1-c1ccc(CCNc2ncnc3ccc(F)cc23)cc1.
What is the InChIKey of 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is MMOLLMBOFBBVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-28-22-5-3-2-4-19(22)17-8-6-16(7-9-17)12-13-25-23-20-14-18(24)10-11-21(20)26-15-27-23/h2-11,14-15H,12-13H2,1H3,(H,25,26,27).
What are the key properties of 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine?
6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 373.43 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[4-(2-methoxyphenyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 171343445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).