7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one

C12H12BrClN2O — CID 146650960

IUPAC7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one
SMILESCN1c2cc(Br)cc(Cl)c2C(=O)NC12CCC2
InChIInChI=1S/C12H12BrClN2O/c1-16-9-6-7(13)5-8(14)10(9)11(17)15-12(16)3-2-4-12/h5-6H,2-4H2,1H3,(H,15,17)
InChIKeyHJWDTOQONCRQPG-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.16
Rot. Bonds

About 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one

7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one (PubChem CID 146650960) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one.

Molecular Properties

Compound Name7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one
PubChem CID146650960
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one
SMILESCN1c2cc(Br)cc(Cl)c2C(=O)NC12CCC2
InChIInChI=1S/C12H12BrClN2O/c1-16-9-6-7(13)5-8(14)10(9)11(17)15-12(16)3-2-4-12/h5-6H,2-4H2,1H3,(H,15,17)
InChIKeyHJWDTOQONCRQPG-UHFFFAOYSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one
CID 146650368
6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
1-methylspiro[3H-quinazoline-2,4'-thiane]-4-one
CID 25344226
5-bromo-7-chloro-1-methylindole-3-carbaldehyde
CID 83489032
6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 139387352
9-bromo-3-chlorospiro[5H-pyrrolo[1,2-a][1,4]benzodiazepine-6,1'-cyclopropane]-4-one
CID 129116959
3-(4-bromo-2-chloro-6-methylphenyl)-4-hydroxy-7-methyl-8-oxa-1-azaspiro[4.5]dec-3-en-2-one
CID 54708504
5-bromo-7-chloro-1H-indole-2,3-dione
CID 4659218
6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84644245
(4-bromo-2-chloro-6-methylphenyl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7920820
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
CID 144985857

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one?
The IUPAC name of 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one (CID 146650960) is 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one.
What is the SMILES notation for 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one?
The canonical SMILES for 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one is CN1c2cc(Br)cc(Cl)c2C(=O)NC12CCC2.
What is the InChIKey of 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one?
The InChIKey is HJWDTOQONCRQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-16-9-6-7(13)5-8(14)10(9)11(17)15-12(16)3-2-4-12/h5-6H,2-4H2,1H3,(H,15,17).
What are the key properties of 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one?
7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one has a molecular weight of 315.60 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one is sourced from PubChem (CID 146650960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).