6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C16H14Cl2N2O — CID 82010181

IUPAC6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Cl)c3cccc(Cl)c3)ccc2NC1=O
InChIInChI=1S/C16H14Cl2N2O/c1-20-9-12-7-11(5-6-14(12)19-16(20)21)15(18)10-3-2-4-13(17)8-10/h2-8,15H,9H2,1H3,(H,19,21)
InChIKeyCSZDBMAGNXKPDX-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.65
Rot. Bonds2

About 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82010181) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82010181
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Cl)c3cccc(Cl)c3)ccc2NC1=O
InChIInChI=1S/C16H14Cl2N2O/c1-20-9-12-7-11(5-6-14(12)19-16(20)21)15(18)10-3-2-4-13(17)8-10/h2-8,15H,9H2,1H3,(H,19,21)
InChIKeyCSZDBMAGNXKPDX-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106689209
6-[chloro-(2-iodophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010538
6-[(5-bromofuran-2-yl)-chloromethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010221
6-[bromo-(3-fluorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009227
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
6-[chloro-(1-methylcyclohexyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106828629
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107961289
3-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82010181) is 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(Cl)c3cccc(Cl)c3)ccc2NC1=O.
What is the InChIKey of 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is CSZDBMAGNXKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-20-9-12-7-11(5-6-14(12)19-16(20)21)15(18)10-3-2-4-13(17)8-10/h2-8,15H,9H2,1H3,(H,19,21).
What are the key properties of 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 321.21 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).