6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C14H12Cl2N2O2 — CID 106689209

IUPAC6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Cl)c3ccc(Cl)o3)ccc2NC1=O
InChIInChI=1S/C14H12Cl2N2O2/c1-18-7-9-6-8(2-3-10(9)17-14(18)19)13(16)11-4-5-12(15)20-11/h2-6,13H,7H2,1H3,(H,17,19)
InChIKeyAAFLDNDYKWWVHQ-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.24
Rot. Bonds2

About 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 106689209) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID106689209
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Cl)c3ccc(Cl)o3)ccc2NC1=O
InChIInChI=1S/C14H12Cl2N2O2/c1-18-7-9-6-8(2-3-10(9)17-14(18)19)13(16)11-4-5-12(15)20-11/h2-6,13H,7H2,1H3,(H,17,19)
InChIKeyAAFLDNDYKWWVHQ-UHFFFAOYSA-N
XLogP4.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-bromofuran-2-yl)-chloromethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010221
6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010181
6-[chloro-(2-iodophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010538
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
3-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009726
6-[bromo-(3-fluorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009227
6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010658

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 106689209) is 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(Cl)c3ccc(Cl)o3)ccc2NC1=O.
What is the InChIKey of 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is AAFLDNDYKWWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-18-7-9-6-8(2-3-10(9)17-14(18)19)13(16)11-4-5-12(15)20-11/h2-6,13H,7H2,1H3,(H,17,19).
What are the key properties of 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 311.17 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 106689209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).