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

C24H25N3O2 — CID 53025902

IUPAC(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C)cc3)CC1)c1cccn1-2
InChIInChI=1S/C24H25N3O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(29-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3
InChIKeyMHLRCMFPPMHTPN-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.35
Rot. Bonds2

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

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone (PubChem CID 53025902) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
PubChem CID53025902
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
SMILESCOc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C)cc3)CC1)c1cccn1-2
InChIInChI=1S/C24H25N3O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(29-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3
InChIKeyMHLRCMFPPMHTPN-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

4-{4-Oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide
CID 16018214
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11567928
1'-Benzyl-7-methoxy-4,5-dihydrospiro[pyrrolo(1,2-a)quinoxaline-4,4'-piperidine]
CID 21558498
7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one
CID 24205092
(3-(dimethylamino)-4-methoxyphenyl)(7'-methoxy-5'H-1l4-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxalin]-1-yl)methanone
CID 49831248
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-6-ylmethanone
CID 49869305
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-quinolin-5-ylmethanone
CID 49869306
4-[(7'-Methoxy-1H,5'H-spiro[piperidine-4,4'-pyrrolo[1,2-A]quinoxalin]-1-YL)carbonyl]benzonitrile
CID 49869747
7'-methoxy-1-(4-methoxybenzoyl)-5'{H}-spiro[piperidine-4,4'-pyrrolo[1,2-{a}]quinoxaline]
CID 53025906
(3-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058099
4-[7-(trifluoromethoxy)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonyl]benzonitrile
CID 67523614
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(1-methylindol-5-yl)methanone
CID 67523656

Frequently Asked Questions

What is the IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
The IUPAC name of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone (CID 53025902) is (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone is COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(C)cc3)CC1)c1cccn1-2.
What is the InChIKey of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
The InChIKey is MHLRCMFPPMHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(29-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3.
What are the key properties of (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)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 (7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 53025902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).