6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione

C24H24ClN5O6 — CID 4909642

IUPAC6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc3c(c2Cl)CC2(C(=O)N(C)C(=O)N(C)C2=O)C2CCCN32)C(=O)N(C)C1=O
InChIInChI=1S/C24H24ClN5O6/c1-26-18(31)13(19(32)27(2)22(26)35)10-12-7-8-15-14(17(12)25)11-24(16-6-5-9-30(15)16)20(33)28(3)23(36)29(4)21(24)34/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyJQFPZIQEUYBQHZ-UHFFFAOYSA-N
MW513.94 g/mol
LogP1.34
Rot. Bonds1

About 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione

6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione (PubChem CID 4909642) has the molecular formula C24H24ClN5O6 and a molecular weight of 513.94 g/mol. Its IUPAC name is 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
PubChem CID4909642
Molecular FormulaC24H24ClN5O6
Molecular Weight513.94 g/mol
Exact Mass513.14
IUPAC Name6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc3c(c2Cl)CC2(C(=O)N(C)C(=O)N(C)C2=O)C2CCCN32)C(=O)N(C)C1=O
InChIInChI=1S/C24H24ClN5O6/c1-26-18(31)13(19(32)27(2)22(26)35)10-12-7-8-15-14(17(12)25)11-24(16-6-5-9-30(15)16)20(33)28(3)23(36)29(4)21(24)34/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyJQFPZIQEUYBQHZ-UHFFFAOYSA-N
XLogP1.34
TPSA118.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.94
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
The IUPAC name of 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione (CID 4909642) is 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
The canonical SMILES for 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione is CN1C(=O)C(=Cc2ccc3c(c2Cl)CC2(C(=O)N(C)C(=O)N(C)C2=O)C2CCCN32)C(=O)N(C)C1=O.
What is the InChIKey of 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
The InChIKey is JQFPZIQEUYBQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O6/c1-26-18(31)13(19(32)27(2)22(26)35)10-12-7-8-15-14(17(12)25)11-24(16-6-5-9-30(15)16)20(33)28(3)23(36)29(4)21(24)34/h7-8,10,16H,5-6,9,11H2,1-4H3.
What are the key properties of 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione?
6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione has a molecular weight of 513.94 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-chloro-7'-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1,3-dimethylspiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 4909642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).