6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one

C26H26FN3O2 — CID 58187046

IUPAC6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one
SMILESCOC[C@@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C26H26FN3O2/c1-18-28-25-14-13-22(29(2)21-11-9-20(27)10-12-21)16-24(25)26(31)30(18)23(17-32-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17H2,1-3H3/t23-/m1/s1
InChIKeyZBRSMITZEWCNDM-HSZRJFAPSA-N
MW431.51 g/mol
LogP5.04
Rot. Bonds7

About 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one

6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one (PubChem CID 58187046) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one
PubChem CID58187046
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one
SMILESCOC[C@@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C26H26FN3O2/c1-18-28-25-14-13-22(29(2)21-11-9-20(27)10-12-21)16-24(25)26(31)30(18)23(17-32-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17H2,1-3H3/t23-/m1/s1
InChIKeyZBRSMITZEWCNDM-HSZRJFAPSA-N
XLogP5.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-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

Related Compounds

6-[3-fluoropropyl(methyl)amino]-3-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one
CID 58187208
6-(4-fluorophenoxy)-3-[(2S)-1-methoxy-4-phenylbutan-2-yl]-2-methylquinazolin-4-one
CID 163793092
1,3-diphenylpropan-1-amine;3-(1,3-diphenylpropyl)-6-(4-fluoro-N-methylanilino)-2-methylquinazolin-4-one
CID 158244514
3-benzhydryl-6-(4-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58187033
3-benzhydryl-6-(4-hydroxy-N-methylanilino)-2-methylquinazolin-4-one
CID 44513254
3-benzhydryl-2-methyl-6-(N-methyl-4-methylsulfonylanilino)quinazolin-4-one
CID 58187079
3-benzhydryl-6-(4-fluoro-N,3-dimethylanilino)-2-methylquinazolin-4-one;6-(N,4-dimethylanilino)-2-methyl-3-(2-methyl-1-phenylpropyl)quinazolin-4-one
CID 123421060
3-benzhydryl-6-(3-chloro-N-methylanilino)-2-methylquinazolin-4-one
CID 58186986
methyl 3-[(3-benzhydryl-2-methyl-4-oxoquinazolin-6-yl)-methylamino]benzoate
CID 44514505
3-[(2,6-difluorophenyl)-phenylmethyl]-6-(dimethylamino)-2-methylquinazolin-4-one
CID 58187140
2-[(3-benzhydryl-2-methyl-4-oxoquinazolin-6-yl)-methylamino]benzaldehyde
CID 88970144
3-[bis(4-fluorophenyl)methyl]-6-bromo-2-methylquinazolin-4-one
CID 58187204

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one?
The IUPAC name of 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one (CID 58187046) is 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one?
The canonical SMILES for 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one is COC[C@@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)c3ccc(F)cc3)cc2c1=O.
What is the InChIKey of 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one?
The InChIKey is ZBRSMITZEWCNDM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-18-28-25-14-13-22(29(2)21-11-9-20(27)10-12-21)16-24(25)26(31)30(18)23(17-32-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17H2,1-3H3/t23-/m1/s1.
What are the key properties of 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one?
6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one has a molecular weight of 431.51 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-N-methylanilino)-3-[(2R)-1-methoxy-3-phenylpropan-2-yl]-2-methylquinazolin-4-one is sourced from PubChem (CID 58187046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).