2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one

C23H20N2O4 — CID 168551574

IUPAC2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
SMILESCOc1ccc(OCc2cc(-c3nc4ccccc4c(=O)[nH]3)ccc2OC)cc1
InChIInChI=1S/C23H20N2O4/c1-27-17-8-10-18(11-9-17)29-14-16-13-15(7-12-21(16)28-2)22-24-20-6-4-3-5-19(20)23(26)25-22/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeyJXLKCICWAUAPEJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one

2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one (PubChem CID 168551574) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
PubChem CID168551574
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
SMILESCOc1ccc(OCc2cc(-c3nc4ccccc4c(=O)[nH]3)ccc2OC)cc1
InChIInChI=1S/C23H20N2O4/c1-27-17-8-10-18(11-9-17)29-14-16-13-15(7-12-21(16)28-2)22-24-20-6-4-3-5-19(20)23(26)25-22/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeyJXLKCICWAUAPEJ-UHFFFAOYSA-N
XLogP4.19
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(2-tert-butyl-5-methylphenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551548
2-[4-methoxy-3-[(5-methyl-2-nitrophenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551554
2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
CID 168551682
2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 135472158
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]benzonitrile
CID 168551260
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one (CID 168551574) is 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one is COc1ccc(OCc2cc(-c3nc4ccccc4c(=O)[nH]3)ccc2OC)cc1.
What is the InChIKey of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one?
The InChIKey is JXLKCICWAUAPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-17-8-10-18(11-9-17)29-14-16-13-15(7-12-21(16)28-2)22-24-20-6-4-3-5-19(20)23(26)25-22/h3-13H,14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one?
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one has a molecular weight of 388.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).