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

C14H17ClN2O — CID 82009732

IUPAC6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Cl)C3CCC3)ccc2NC1=O
InChIInChI=1S/C14H17ClN2O/c1-17-8-11-7-10(13(15)9-3-2-4-9)5-6-12(11)16-14(17)18/h5-7,9,13H,2-4,8H2,1H3,(H,16,18)
InChIKeySTOFSQAXOVULPN-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.74
Rot. Bonds2

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

6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82009732) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82009732
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(Cl)C3CCC3)ccc2NC1=O
InChIInChI=1S/C14H17ClN2O/c1-17-8-11-7-10(13(15)9-3-2-4-9)5-6-12(11)16-14(17)18/h5-7,9,13H,2-4,8H2,1H3,(H,16,18)
InChIKeySTOFSQAXOVULPN-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.74
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-(1-methylcyclohexyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106828629
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-[amino(oxan-4-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009563
6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010181
6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107178147
6-[bromo(oxolan-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009396
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106689209
6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010047
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582
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

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82009732) is 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(Cl)C3CCC3)ccc2NC1=O.
What is the InChIKey of 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is STOFSQAXOVULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17-8-11-7-10(13(15)9-3-2-4-9)5-6-12(11)16-14(17)18/h5-7,9,13H,2-4,8H2,1H3,(H,16,18).
What are the key properties of 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 264.76 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).