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

C22H18F3N3O — CID 71210232

IUPAC2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C22H18F3N3O/c1-12-20-18(28-21(26)27-12)10-14(11-19(20)29)17-8-3-2-7-16(17)13-5-4-6-15(9-13)22(23,24)25/h2-9,14H,10-11H2,1H3,(H2,26,27,28)
InChIKeyGNVUFZQUMBXBMC-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.97
Rot. Bonds2

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

2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 71210232) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID71210232
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C22H18F3N3O/c1-12-20-18(28-21(26)27-12)10-14(11-19(20)29)17-8-3-2-7-16(17)13-5-4-6-15(9-13)22(23,24)25/h2-9,14H,10-11H2,1H3,(H2,26,27,28)
InChIKeyGNVUFZQUMBXBMC-UHFFFAOYSA-N
XLogP4.97
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one (CID 71210232) is 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N)nc2c1C(=O)CC(c1ccccc1-c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GNVUFZQUMBXBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c1-12-20-18(28-21(26)27-12)10-14(11-19(20)29)17-8-3-2-7-16(17)13-5-4-6-15(9-13)22(23,24)25/h2-9,14H,10-11H2,1H3,(H2,26,27,28).
What are the key properties of 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one?
2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 397.40 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-7-[2-[3-(trifluoromethyl)phenyl]phenyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 71210232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).