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

C22H18N2O3 — CID 168551873

IUPAC2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C22H18N2O3/c1-26-16-8-6-7-15(13-16)14-27-20-12-5-3-10-18(20)21-23-19-11-4-2-9-17(19)22(25)24-21/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyOLHABZYEXZQCFP-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.18
Rot. Bonds5

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

2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one (PubChem CID 168551873) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
PubChem CID168551873
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESCOc1cccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C22H18N2O3/c1-26-16-8-6-7-15(13-16)14-27-20-12-5-3-10-18(20)21-23-19-11-4-2-9-17(19)22(25)24-21/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyOLHABZYEXZQCFP-UHFFFAOYSA-N
XLogP4.18
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[2-(3-methoxyphenyl)sulfanylphenyl]-3H-quinazolin-4-one
CID 168553348
methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
CID 168551557
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168552349
2-(2-hydroxy-5-methoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551472
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one (CID 168551873) is 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one is COc1cccc(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The InChIKey is OLHABZYEXZQCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-16-8-6-7-15(13-16)14-27-20-12-5-3-10-18(20)21-23-19-11-4-2-9-17(19)22(25)24-21/h2-13H,14H2,1H3,(H,23,24,25).
What are the key properties of 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one?
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one has a molecular weight of 358.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).