methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

C15H18BrN3O3 — CID 154840699

IUPACmethyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2C
InChIInChI=1S/C15H18BrN3O3/c1-18-13(20)11-9-10(16)3-4-12(11)17-15(18)5-7-19(8-6-15)14(21)22-2/h3-4,9,17H,5-8H2,1-2H3
InChIKeyWJZJEWXGSGJNID-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.51
Rot. Bonds

About methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate

methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (PubChem CID 154840699) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
PubChem CID154840699
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Namemethyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2C
InChIInChI=1S/C15H18BrN3O3/c1-18-13(20)11-9-10(16)3-4-12(11)17-15(18)5-7-19(8-6-15)14(21)22-2/h3-4,9,17H,5-8H2,1-2H3
InChIKeyWJZJEWXGSGJNID-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
methyl 4-(2,4-dibromobenzoyl)piperazine-1-carboxylate
CID 103882580
6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875567
6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077773
methyl 4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazine-1-carboxylate
CID 54916661
6-bromo-1'-(3,5-dimethoxynaphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 59144648
methyl 6-bromo-3,3-dimethyl-2-oxo-4H-quinoxaline-1-carboxylate
CID 175389736
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562
methyl 7-bromo-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate
CID 11150643
methyl 4-(3,5-dibromobenzoyl)piperazine-1-carboxylate
CID 103908088
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 18887355

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate (CID 154840699) is methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is COC(=O)N1CCC2(CC1)Nc1ccc(Br)cc1C(=O)N2C.
What is the InChIKey of methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
The InChIKey is WJZJEWXGSGJNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-18-13(20)11-9-10(16)3-4-12(11)17-15(18)5-7-19(8-6-15)14(21)22-2/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate?
methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate has a molecular weight of 368.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 154840699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).