7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one

C24H20F6N4O — CID 30320686

IUPAC7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(nc(Nc3cccc(C(F)(F)F)c3)nc2Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H20F6N4O/c1-22(2)11-17-19(18(35)12-22)20(31-15-7-3-5-13(9-15)23(25,26)27)34-21(33-17)32-16-8-4-6-14(10-16)24(28,29)30/h3-10H,11-12H2,1-2H3,(H2,31,32,33,34)
InChIKeyAUKKJQSZMLVUBU-UHFFFAOYSA-N
MW494.44 g/mol
LogP7.16
Rot. Bonds4

About 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one (PubChem CID 30320686) has the molecular formula C24H20F6N4O and a molecular weight of 494.44 g/mol. Its IUPAC name is 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
PubChem CID30320686
Molecular FormulaC24H20F6N4O
Molecular Weight494.44 g/mol
Exact Mass494.15
IUPAC Name7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2c(nc(Nc3cccc(C(F)(F)F)c3)nc2Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H20F6N4O/c1-22(2)11-17-19(18(35)12-22)20(31-15-7-3-5-13(9-15)23(25,26)27)34-21(33-17)32-16-8-4-6-14(10-16)24(28,29)30/h3-10H,11-12H2,1-2H3,(H2,31,32,33,34)
InChIKeyAUKKJQSZMLVUBU-UHFFFAOYSA-N
XLogP7.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.44
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one with MolForge

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Related Compounds

2-anilino-4-(3,4-dichloroanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30317939
2-(4-fluoroanilino)-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30318701
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
4-(3-chloro-4-methylanilino)-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 30320466
4-(3,4-dichloroanilino)-2-(3,4-dimethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30321787
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
4-(4-ethylanilino)-2-(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 30319621
(7R)-4-methyl-7-phenyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 41386841
4-(2-methoxyanilino)-7,7-dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 30318253
4-(3-chloroanilino)-7,7-dimethyl-2,3,6,8-tetrahydro-1H-cyclopenta[c]quinolin-9-one
CID 14547101
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one (CID 30320686) is 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2c(nc(Nc3cccc(C(F)(F)F)c3)nc2Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one?
The InChIKey is AUKKJQSZMLVUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N4O/c1-22(2)11-17-19(18(35)12-22)20(31-15-7-3-5-13(9-15)23(25,26)27)34-21(33-17)32-16-8-4-6-14(10-16)24(28,29)30/h3-10H,11-12H2,1-2H3,(H2,31,32,33,34).
What are the key properties of 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one has a molecular weight of 494.44 g/mol, XLogP of 7.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,4-bis[3-(trifluoromethyl)anilino]-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 30320686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).