2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one

C21H14Cl2N2O2 — CID 168551891

IUPAC2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2OCc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C21H14Cl2N2O2/c22-14-5-3-4-13(10-14)12-27-19-9-8-15(23)11-17(19)20-24-18-7-2-1-6-16(18)21(26)25-20/h1-11H,12H2,(H,24,25,26)
InChIKeyNHKVGAOBVBWZIB-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.48
Rot. Bonds4

About 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one

2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one (PubChem CID 168551891) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
PubChem CID168551891
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)ccc2OCc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C21H14Cl2N2O2/c22-14-5-3-4-13(10-14)12-27-19-9-8-15(23)11-17(19)20-24-18-7-2-1-6-16(18)21(26)25-20/h1-11H,12H2,(H,24,25,26)
InChIKeyNHKVGAOBVBWZIB-UHFFFAOYSA-N
XLogP5.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
[4-chloro-2-(4-oxo-3H-quinazolin-2-yl)phenyl] dihydrogen phosphate
CID 135532368
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
3-[4-[[4-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyridin-1-ium-1-yl]propanenitrile
CID 139581641
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one (CID 168551891) is 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(Cl)ccc2OCc2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The InChIKey is NHKVGAOBVBWZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-14-5-3-4-13(10-14)12-27-19-9-8-15(23)11-17(19)20-24-18-7-2-1-6-16(18)21(26)25-20/h1-11H,12H2,(H,24,25,26).
What are the key properties of 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one has a molecular weight of 397.26 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).