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

C21H14Cl2N2O2 — CID 137085110

IUPAC2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H14Cl2N2O2/c22-15-8-5-14(18(23)11-15)12-27-16-9-6-13(7-10-16)20-24-19-4-2-1-3-17(19)21(26)25-20/h1-11H,12H2,(H,24,25,26)
InChIKeyBHBLPGCGLXESHR-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.48
Rot. Bonds4

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

2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one (PubChem CID 137085110) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
PubChem CID137085110
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H14Cl2N2O2/c22-15-8-5-14(18(23)11-15)12-27-16-9-6-13(7-10-16)20-24-19-4-2-1-3-17(19)21(26)25-20/h1-11H,12H2,(H,24,25,26)
InChIKeyBHBLPGCGLXESHR-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-[[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]benzonitrile
CID 168551260
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
4-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanenitrile
CID 168552456
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one (CID 137085110) is 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
The InChIKey is BHBLPGCGLXESHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-15-8-5-14(18(23)11-15)12-27-16-9-6-13(7-10-16)20-24-19-4-2-1-3-17(19)21(26)25-20/h1-11H,12H2,(H,24,25,26).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one?
2-[4-[(2,4-dichlorophenyl)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-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137085110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).