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

C24H24ClN3O3 — CID 118710327

IUPAC(3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(Cl)c3)CC1)c1cccn1-2
InChIInChI=1S/C24H24ClN3O3/c1-30-17-6-7-20-19(15-17)26-24(22-4-3-11-28(20)22)9-12-27(13-10-24)23(29)16-5-8-21(31-2)18(25)14-16/h3-8,11,14-15,26H,9-10,12-13H2,1-2H3
InChIKeyTZVKLOBAQHLBCP-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.70
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

(3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 118710327) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID118710327
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name(3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(Cl)c3)CC1)c1cccn1-2
InChIInChI=1S/C24H24ClN3O3/c1-30-17-6-7-20-19(15-17)26-24(22-4-3-11-28(20)22)9-12-27(13-10-24)23(29)16-5-8-21(31-2)18(25)14-16/h3-8,11,14-15,26H,9-10,12-13H2,1-2H3
InChIKeyTZVKLOBAQHLBCP-UHFFFAOYSA-N
XLogP4.70
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 118710327) is (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(Cl)c3)CC1)c1cccn1-2.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is TZVKLOBAQHLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-30-17-6-7-20-19(15-17)26-24(22-4-3-11-28(20)22)9-12-27(13-10-24)23(29)16-5-8-21(31-2)18(25)14-16/h3-8,11,14-15,26H,9-10,12-13H2,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
(3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 437.93 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 118710327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).