N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide

C24H25N5O5 — CID 51579059

IUPACN-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide
SMILESCOc1ccccc1N1CCN2c3ccc(NC(C)=O)cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1
InChIInChI=1S/C24H25N5O5/c1-14(30)25-16-7-8-17-15(11-16)12-24(21(31)26-23(33)27-22(24)32)20-13-28(9-10-29(17)20)18-5-3-4-6-19(18)34-2/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,25,30)(H2,26,27,31,32,33)/t20-/m0/s1
InChIKeyRYTGMNTWLBCQHT-FQEVSTJZSA-N
MW463.49 g/mol
LogP1.26
Rot. Bonds3

About N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide

N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide (PubChem CID 51579059) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide.

Molecular Properties

Compound NameN-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide
PubChem CID51579059
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide
SMILESCOc1ccccc1N1CCN2c3ccc(NC(C)=O)cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1
InChIInChI=1S/C24H25N5O5/c1-14(30)25-16-7-8-17-15(11-16)12-24(21(31)26-23(33)27-22(24)32)20-13-28(9-10-29(17)20)18-5-3-4-6-19(18)34-2/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,25,30)(H2,26,27,31,32,33)/t20-/m0/s1
InChIKeyRYTGMNTWLBCQHT-FQEVSTJZSA-N
XLogP1.26
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide with MolForge

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Related Compounds

N-[(4'aR)-3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide
CID 41102334
N-[3'-(2-methoxyphenyl)-1,3-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]propanamide
CID 4908173
8'-(2,5-dimethylpyrrol-1-yl)-3'-(2-methoxyphenyl)-1,3-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 4899660
(4'aR,5S)-3'-(2-methoxyphenyl)-1-phenyl-8'-(trifluoromethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 98442371
(4'aS)-3'-(2-methoxyphenyl)-1,3-diphenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 124818016
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
8'-nitro-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 4971877
(4'aS)-3'-(4-fluorophenyl)-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 27463021
(4'aR,5S)-1-(2-methoxyphenyl)-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 100890140
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46362988
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17308597

Frequently Asked Questions

What is the IUPAC name of N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide?
The IUPAC name of N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide (CID 51579059) is N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide.
What is the SMILES notation for N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide?
The canonical SMILES for N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide is COc1ccccc1N1CCN2c3ccc(NC(C)=O)cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1.
What is the InChIKey of N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide?
The InChIKey is RYTGMNTWLBCQHT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-14(30)25-16-7-8-17-15(11-16)12-24(21(31)26-23(33)27-22(24)32)20-13-28(9-10-29(17)20)18-5-3-4-6-19(18)34-2/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,25,30)(H2,26,27,31,32,33)/t20-/m0/s1.
What are the key properties of N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide?
N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide has a molecular weight of 463.49 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4'aR)-3'-(2-methoxyphenyl)-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-8'-yl]acetamide is sourced from PubChem (CID 51579059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).