2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one

C43H49F3N6O2 — CID 161228440

IUPAC2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one
SMILESCC[C@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)CCC(F)(F)F)cc2c1=O.CC[C@H](Cc1ccccc1)n1c(C)nc2ccc(NC)cc2c1=O
InChIInChI=1S/C23H26F3N3O.C20H23N3O/c1-4-18(14-17-8-6-5-7-9-17)29-16(2)27-21-11-10-19(15-20(21)22(29)30)28(3)13-12-23(24,25)26;1-4-17(12-15-8-6-5-7-9-15)23-14(2)22-19-11-10-16(21-3)13-18(19)20(23)24/h5-11,15,18H,4,12-14H2,1-3H3;5-11,13,17,21H,4,12H2,1-3H3/t18-;17-/m11/s1
InChIKeyUYKVMKVGCMFGJT-BXONKRMDSA-N
MW738.90 g/mol
LogP9.23
Rot. Bonds12

About 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one

2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one (PubChem CID 161228440) has the molecular formula C43H49F3N6O2 and a molecular weight of 738.90 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one
PubChem CID161228440
Molecular FormulaC43H49F3N6O2
Molecular Weight738.90 g/mol
Exact Mass738.39
IUPAC Name2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one
SMILESCC[C@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)CCC(F)(F)F)cc2c1=O.CC[C@H](Cc1ccccc1)n1c(C)nc2ccc(NC)cc2c1=O
InChIInChI=1S/C23H26F3N3O.C20H23N3O/c1-4-18(14-17-8-6-5-7-9-17)29-16(2)27-21-11-10-19(15-20(21)22(29)30)28(3)13-12-23(24,25)26;1-4-17(12-15-8-6-5-7-9-15)23-14(2)22-19-11-10-16(21-3)13-18(19)20(23)24/h5-11,15,18H,4,12-14H2,1-3H3;5-11,13,17,21H,4,12H2,1-3H3/t18-;17-/m11/s1
InChIKeyUYKVMKVGCMFGJT-BXONKRMDSA-N
XLogP9.23
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.90
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one?
The IUPAC name of 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one (CID 161228440) is 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one.
What is the SMILES notation for 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one?
The canonical SMILES for 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one is CC[C@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)CCC(F)(F)F)cc2c1=O.CC[C@H](Cc1ccccc1)n1c(C)nc2ccc(NC)cc2c1=O.
What is the InChIKey of 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one?
The InChIKey is UYKVMKVGCMFGJT-BXONKRMDSA-N. The full InChI is InChI=1S/C23H26F3N3O.C20H23N3O/c1-4-18(14-17-8-6-5-7-9-17)29-16(2)27-21-11-10-19(15-20(21)22(29)30)28(3)13-12-23(24,25)26;1-4-17(12-15-8-6-5-7-9-15)23-14(2)22-19-11-10-16(21-3)13-18(19)20(23)24/h5-11,15,18H,4,12-14H2,1-3H3;5-11,13,17,21H,4,12H2,1-3H3/t18-;17-/m11/s1.
What are the key properties of 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one?
2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one has a molecular weight of 738.90 g/mol, XLogP of 9.23, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one;2-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]-3-[(2R)-1-phenylbutan-2-yl]quinazolin-4-one is sourced from PubChem (CID 161228440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).