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

C23H22ClN3O2 — CID 53058100

IUPAC(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2
InChIInChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3
InChIKeyQWIKRSBEQWYICN-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.70
Rot. Bonds2

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

(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53058100) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53058100
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2
InChIInChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3
InChIKeyQWIKRSBEQWYICN-UHFFFAOYSA-N
XLogP4.70
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone with MolForge

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Related Compounds

1-[4-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl)phenyl]ethanone
CID 70814248
(3-fluoro-4-methylphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058114
1H-indazol-6-yl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 70814273
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-7-ylmethanone
CID 118714783
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
(4-ethoxyphenyl)-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025874
N-(3-chloro-4-methylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030235
7-methoxy-N-(3-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008766
N-(3,5-dimethylphenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030239
(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53025842
7-methoxy-N-(2-methoxyphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53210511
7-methoxy-N-(2-methoxy-5-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030260

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53058100) is (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2.
What is the InChIKey of (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is QWIKRSBEQWYICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3.
What are the key properties of (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
(4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 407.90 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53058100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).