2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one

C21H18N2O3 — CID 57177449

IUPAC2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(COc2cccc(Oc3ccccc3)c2)Nc2ccccc21
InChIInChI=1S/C21H18N2O3/c24-21-18-11-4-5-12-19(18)22-20(23-21)14-25-16-9-6-10-17(13-16)26-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)
InChIKeyZCKYARNHNKINOK-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.04
Rot. Bonds5

About 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one

2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 57177449) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID57177449
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(COc2cccc(Oc3ccccc3)c2)Nc2ccccc21
InChIInChI=1S/C21H18N2O3/c24-21-18-11-4-5-12-19(18)22-20(23-21)14-25-16-9-6-10-17(13-16)26-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)
InChIKeyZCKYARNHNKINOK-UHFFFAOYSA-N
XLogP4.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-amino-2-[(3-methoxyphenoxy)methyl]-1,2-dihydroquinazolin-4-one
CID 944189
oxalic acid;(3R,4S)-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine
CID 67638077
(2R)-2-(3-phenoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2320255
5-[(3-phenoxyphenoxy)methyl]-3H-1,3-oxazol-2-one
CID 175502384
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)propanenitrile
CID 121224563
5-[(3-phenoxyphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 59580285
4-[2-(3-phenoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2640660
1-(2-bromoethoxy)-3-phenoxybenzene
CID 86227563
2-(3-phenoxyphenoxy)acetate
CID 22411603
2-(phenoxymethyl)-1,3-diazinan-4-one
CID 76955615
trifluoro-[(3-phenoxyphenoxy)methyl]boranuide
CID 63702596

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one (CID 57177449) is 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(COc2cccc(Oc3ccccc3)c2)Nc2ccccc21.
What is the InChIKey of 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is ZCKYARNHNKINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-21-18-11-4-5-12-19(18)22-20(23-21)14-25-16-9-6-10-17(13-16)26-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24).
What are the key properties of 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one?
2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 346.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenoxy)methyl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 57177449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).