(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C24H25N3O2 — CID 53058091

IUPAC(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12
InChIInChI=1S/C24H25N3O2/c1-17-9-10-20-19(16-17)25-24(22-8-5-13-27(20)22)11-14-26(15-12-24)23(28)18-6-3-4-7-21(18)29-2/h3-10,13,16,25H,11-12,14-15H2,1-2H3
InChIKeyDYFWMBUUAHBXLE-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.35
Rot. Bonds2

About (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53058091) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53058091
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12
InChIInChI=1S/C24H25N3O2/c1-17-9-10-20-19(16-17)25-24(22-8-5-13-27(20)22)11-14-26(15-12-24)23(28)18-6-3-4-7-21(18)29-2/h3-10,13,16,25H,11-12,14-15H2,1-2H3
InChIKeyDYFWMBUUAHBXLE-UHFFFAOYSA-N
XLogP4.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
CID 95794161
CID 95794161
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511
ethyl 2-[(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)amino]acetate
CID 71686720
1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
1'-(3,4-dimethoxyphenyl)sulfonyl-7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025712
(2-fluorophenyl)-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylmethanone
CID 53025806
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058100
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53058091) is (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is COc1ccccc1C(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12.
What is the InChIKey of (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is DYFWMBUUAHBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-9-10-20-19(16-17)25-24(22-8-5-13-27(20)22)11-14-26(15-12-24)23(28)18-6-3-4-7-21(18)29-2/h3-10,13,16,25H,11-12,14-15H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
(2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53058091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).