2-(3,5-dichlorophenyl)-3H-quinazolin-4-one

C14H8Cl2N2O — CID 168550718

IUPAC2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)cc(Cl)c2)nc2ccccc12
InChIInChI=1S/C14H8Cl2N2O/c15-9-5-8(6-10(16)7-9)13-17-12-4-2-1-3-11(12)14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyOZUSLFAQLXOMDE-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.90
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one

2-(3,5-dichlorophenyl)-3H-quinazolin-4-one (PubChem CID 168550718) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
PubChem CID168550718
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(Cl)cc(Cl)c2)nc2ccccc12
InChIInChI=1S/C14H8Cl2N2O/c15-9-5-8(6-10(16)7-9)13-17-12-4-2-1-3-11(12)14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyOZUSLFAQLXOMDE-UHFFFAOYSA-N
XLogP3.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
[3,5-dichloro-4-(4-oxo-3H-quinazolin-2-yl)phenyl] acetate
CID 168553239
2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168553022

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one (CID 168550718) is 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(Cl)cc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one?
The InChIKey is OZUSLFAQLXOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-9-5-8(6-10(16)7-9)13-17-12-4-2-1-3-11(12)14(19)18-13/h1-7H,(H,17,18,19).
What are the key properties of 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one?
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one has a molecular weight of 291.14 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168550718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).