6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one

C17H16N2O4 — CID 135752751

IUPAC6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
SMILESCOc1ccc(OC)c(COc2ccc3nc[nH]c(=O)c3c2)c1
InChIInChI=1S/C17H16N2O4/c1-21-12-4-6-16(22-2)11(7-12)9-23-13-3-5-15-14(8-13)17(20)19-10-18-15/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyYXMGTAOWOGFGGL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.52
Rot. Bonds5

About 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one

6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one (PubChem CID 135752751) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
PubChem CID135752751
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one
SMILESCOc1ccc(OC)c(COc2ccc3nc[nH]c(=O)c3c2)c1
InChIInChI=1S/C17H16N2O4/c1-21-12-4-6-16(22-2)11(7-12)9-23-13-3-5-15-14(8-13)17(20)19-10-18-15/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyYXMGTAOWOGFGGL-UHFFFAOYSA-N
XLogP2.52
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 141117646
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
(3S)-1-(2,4-dimethoxyphenyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136869730
6,7-dimethoxy-3H-quinazolin-4-one;formamide
CID 158241473
2-(3H-benzimidazol-5-yl)-5-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,4-thiadiazole
CID 58433289
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
7-(2-chloroethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135589778
2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one
CID 25336490
6-[2-(2,5-dimethoxyphenyl)ethyl]-3-methylquinazolin-4-one
CID 19605774

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one?
The IUPAC name of 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one (CID 135752751) is 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one?
The canonical SMILES for 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one is COc1ccc(OC)c(COc2ccc3nc[nH]c(=O)c3c2)c1.
What is the InChIKey of 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one?
The InChIKey is YXMGTAOWOGFGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-12-4-6-16(22-2)11(7-12)9-23-13-3-5-15-14(8-13)17(20)19-10-18-15/h3-8,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one?
6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one has a molecular weight of 312.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethoxyphenyl)methoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 135752751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).