2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid

C25H22N2O5 — CID 22241519

IUPAC2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid
SMILESCc1cccc(COc2cccc(OCc3nc4ccccc4c(=O)n3C)c2)c1C(=O)O
InChIInChI=1S/C25H22N2O5/c1-16-7-5-8-17(23(16)25(29)30)14-31-18-9-6-10-19(13-18)32-15-22-26-21-12-4-3-11-20(21)24(28)27(22)2/h3-13H,14-15H2,1-2H3,(H,29,30)
InChIKeyKVTLUKBYZMAFGG-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.10
Rot. Bonds7

About 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid

2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid (PubChem CID 22241519) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid
PubChem CID22241519
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid
SMILESCc1cccc(COc2cccc(OCc3nc4ccccc4c(=O)n3C)c2)c1C(=O)O
InChIInChI=1S/C25H22N2O5/c1-16-7-5-8-17(23(16)25(29)30)14-31-18-9-6-10-19(13-18)32-15-22-26-21-12-4-3-11-20(21)24(28)27(22)2/h3-13H,14-15H2,1-2H3,(H,29,30)
InChIKeyKVTLUKBYZMAFGG-UHFFFAOYSA-N
XLogP4.10
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid with MolForge

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Related Compounds

2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 22241425
ethane;2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoic acid
CID 142024512
2-methyl-6-[[3-[(3-methylnaphthalen-2-yl)methoxy]phenoxy]methyl]benzoic acid
CID 22241388
2-methyl-6-[[3-[(4-phenylphenyl)methoxy]phenoxy]methyl]benzoic acid
CID 22241403
2-methyl-6-[[3-(pyridin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22241542
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
2-methyl-6-[[3-[[methyl(quinolin-2-yl)amino]methyl]phenoxy]methyl]benzoic acid
CID 22241263
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
2-[[3-[(2,4-dichlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;ethane
CID 142024078
2-[(4-methoxyphenoxy)carbonyl-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 69439968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid?
The IUPAC name of 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid (CID 22241519) is 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid is Cc1cccc(COc2cccc(OCc3nc4ccccc4c(=O)n3C)c2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid?
The InChIKey is KVTLUKBYZMAFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-16-7-5-8-17(23(16)25(29)30)14-31-18-9-6-10-19(13-18)32-15-22-26-21-12-4-3-11-20(21)24(28)27(22)2/h3-13H,14-15H2,1-2H3,(H,29,30).
What are the key properties of 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid?
2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid has a molecular weight of 430.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 22241519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).