(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide

C24H31N5O3 — CID 136733886

IUPAC(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
SMILESCOCC/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(OC)cc1C)C2
InChIInChI=1S/C24H31N5O3/c1-17-15-18(32-3)9-10-19(17)27-23(30)29-13-6-11-24(16-29)22(25-12-14-31-2)26-20-7-4-5-8-21(20)28-24/h4-5,7-10,15,28H,6,11-14,16H2,1-3H3,(H,25,26)(H,27,30)/t24-/m1/s1
InChIKeyNSWOGASJZXTCDK-XMMPIXPASA-N
MW437.54 g/mol
LogP3.95
Rot. Bonds5

About (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide

(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide (PubChem CID 136733886) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
PubChem CID136733886
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide
SMILESCOCC/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(OC)cc1C)C2
InChIInChI=1S/C24H31N5O3/c1-17-15-18(32-3)9-10-19(17)27-23(30)29-13-6-11-24(16-29)22(25-12-14-31-2)26-20-7-4-5-8-21(20)28-24/h4-5,7-10,15,28H,6,11-14,16H2,1-3H3,(H,25,26)(H,27,30)/t24-/m1/s1
InChIKeyNSWOGASJZXTCDK-XMMPIXPASA-N
XLogP3.95
TPSA87.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
The IUPAC name of (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide (CID 136733886) is (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
The canonical SMILES for (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide is COCC/N=C1\Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(OC)cc1C)C2.
What is the InChIKey of (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
The InChIKey is NSWOGASJZXTCDK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17-15-18(32-3)9-10-19(17)27-23(30)29-13-6-11-24(16-29)22(25-12-14-31-2)26-20-7-4-5-8-21(20)28-24/h4-5,7-10,15,28H,6,11-14,16H2,1-3H3,(H,25,26)(H,27,30)/t24-/m1/s1.
What are the key properties of (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide?
(2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methoxyethylimino)-N-(4-methoxy-2-methylphenyl)spiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 136733886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).