6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one

C18H15F3N2O3 — CID 72793279

IUPAC6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one
SMILESCOc1ccc(Cn2c(=O)nc(C(F)(F)F)c3cc(OC)ccc32)cc1
InChIInChI=1S/C18H15F3N2O3/c1-25-12-5-3-11(4-6-12)10-23-15-8-7-13(26-2)9-14(15)16(18(19,20)21)22-17(23)24/h3-9H,10H2,1-2H3
InChIKeyRXGONGKHRWFYKJ-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.48
Rot. Bonds4

About 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one

6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one (PubChem CID 72793279) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one
PubChem CID72793279
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one
SMILESCOc1ccc(Cn2c(=O)nc(C(F)(F)F)c3cc(OC)ccc32)cc1
InChIInChI=1S/C18H15F3N2O3/c1-25-12-5-3-11(4-6-12)10-23-15-8-7-13(26-2)9-14(15)16(18(19,20)21)22-17(23)24/h3-9H,10H2,1-2H3
InChIKeyRXGONGKHRWFYKJ-UHFFFAOYSA-N
XLogP3.48
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-benzyl-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone
CID 162714678
9-benzyl-6-methoxy-3-methylpyrimido[4,5-b]indol-4-one
CID 23857129
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
CID 170621370
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
10-benzyl-3-methoxyacridin-9-one
CID 12751573
5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 172839974
3-[(4-methoxyphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
CID 58578898
1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
CID 59699622
[1-fluoro-1-[4-[(8-methoxypyrido[3,2-b]indol-5-yl)methyl]phenyl]but-3-enyl]phosphonic acid
CID 170621200
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244712
(2S,4R)-7-[(4-methoxyphenyl)methyl]-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one
CID 139533047

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one (CID 72793279) is 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one is COc1ccc(Cn2c(=O)nc(C(F)(F)F)c3cc(OC)ccc32)cc1.
What is the InChIKey of 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one?
The InChIKey is RXGONGKHRWFYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-25-12-5-3-11(4-6-12)10-23-15-8-7-13(26-2)9-14(15)16(18(19,20)21)22-17(23)24/h3-9H,10H2,1-2H3.
What are the key properties of 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one?
6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one has a molecular weight of 364.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 72793279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).