6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one

C13H12Cl2N2O — CID 170753479

IUPAC6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(C(Cl)(Cl)C3CCC3)cc12
InChIInChI=1S/C13H12Cl2N2O/c14-13(15,8-2-1-3-8)9-4-5-11-10(6-9)12(18)17-7-16-11/h4-8H,1-3H2,(H,16,17,18)
InChIKeyQGEVBQJXLBNQQQ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.35
Rot. Bonds2

About 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one

6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one (PubChem CID 170753479) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one
PubChem CID170753479
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(C(Cl)(Cl)C3CCC3)cc12
InChIInChI=1S/C13H12Cl2N2O/c14-13(15,8-2-1-3-8)9-4-5-11-10(6-9)12(18)17-7-16-11/h4-8H,1-3H2,(H,16,17,18)
InChIKeyQGEVBQJXLBNQQQ-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.35
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-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573
6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
CID 135518226
6-phenyl-3H-quinazolin-4-one
CID 135741302
methane;3H-quinazolin-4-one
CID 143348425
6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 141117646
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
ethane;6-ethyl-3H-quinazolin-4-one
CID 143716071
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
6-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 141117643
1-(4-methylphenyl)-3-(4-oxo-3H-quinazolin-6-yl)thiourea
CID 135537826
6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
CID 135858724
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473

Frequently Asked Questions

What is the IUPAC name of 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one (CID 170753479) is 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(C(Cl)(Cl)C3CCC3)cc12.
What is the InChIKey of 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one?
The InChIKey is QGEVBQJXLBNQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-13(15,8-2-1-3-8)9-4-5-11-10(6-9)12(18)17-7-16-11/h4-8H,1-3H2,(H,16,17,18).
What are the key properties of 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one?
6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one has a molecular weight of 283.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 170753479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).