7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one

C15H19BrN2O2 — CID 146650368

IUPAC7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one
SMILESCOc1c(Br)cc(C)c2c1N(C)C1(CCCC1)NC2=O
InChIInChI=1S/C15H19BrN2O2/c1-9-8-10(16)13(20-3)12-11(9)14(19)17-15(18(12)2)6-4-5-7-15/h8H,4-7H2,1-3H3,(H,17,19)
InChIKeyNYXGIUVJCQOPJB-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.22
Rot. Bonds1

About 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one

7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one (PubChem CID 146650368) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one
PubChem CID146650368
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one
SMILESCOc1c(Br)cc(C)c2c1N(C)C1(CCCC1)NC2=O
InChIInChI=1S/C15H19BrN2O2/c1-9-8-10(16)13(20-3)12-11(9)14(19)17-15(18(12)2)6-4-5-7-15/h8H,4-7H2,1-3H3,(H,17,19)
InChIKeyNYXGIUVJCQOPJB-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one
CID 146650960
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
6-bromo-4,5-dimethoxyisoindole-1,3-dione
CID 154575039
6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione
CID 166460740
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 63129991
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
5-bromo-4-methoxy-7-methyl-1H-indazole
CID 167501479

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
The IUPAC name of 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one (CID 146650368) is 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
The canonical SMILES for 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one is COc1c(Br)cc(C)c2c1N(C)C1(CCCC1)NC2=O.
What is the InChIKey of 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
The InChIKey is NYXGIUVJCQOPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9-8-10(16)13(20-3)12-11(9)14(19)17-15(18(12)2)6-4-5-7-15/h8H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one has a molecular weight of 339.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 146650368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).