2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C21H18FN3O — CID 71210200

IUPAC2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cccc(-c3ccccc3F)c1)C2
InChIInChI=1S/C21H18FN3O/c1-12-20-18(25-21(23)24-12)10-15(11-19(20)26)13-5-4-6-14(9-13)16-7-2-3-8-17(16)22/h2-9,15H,10-11H2,1H3,(H2,23,24,25)
InChIKeyLVEFDPPSCVVGLE-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.09
Rot. Bonds2

About 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210200) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210200
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1cccc(-c3ccccc3F)c1)C2
InChIInChI=1S/C21H18FN3O/c1-12-20-18(25-21(23)24-12)10-15(11-19(20)26)13-5-4-6-14(9-13)16-7-2-3-8-17(16)22/h2-9,15H,10-11H2,1H3,(H2,23,24,25)
InChIKeyLVEFDPPSCVVGLE-UHFFFAOYSA-N
XLogP4.09
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 71210200) is 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1cccc(-c3ccccc3F)c1)C2.
What is the InChIKey of 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LVEFDPPSCVVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-12-20-18(25-21(23)24-12)10-15(11-19(20)26)13-5-4-6-14(9-13)16-7-2-3-8-17(16)22/h2-9,15H,10-11H2,1H3,(H2,23,24,25).
What are the key properties of 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 347.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[3-(2-fluorophenyl)phenyl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).