6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one

C26H22ClN5O — CID 91512074

IUPAC6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCCNCc1ccc(/N=C(\c2ccc3nccnc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C26H22ClN5O/c1-2-28-15-16-3-7-19(8-4-16)31-25(17-5-10-21-23(13-17)30-12-11-29-21)24-20-9-6-18(27)14-22(20)32-26(24)33/h3-14,24,28H,2,15H2,1H3,(H,32,33)/b31-25+
InChIKeyFEOZQWKEXFEAKM-QCKNELIISA-N
MW455.95 g/mol
LogP5.25
Rot. Bonds6

About 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one

6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 91512074) has the molecular formula C26H22ClN5O and a molecular weight of 455.95 g/mol. Its IUPAC name is 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID91512074
Molecular FormulaC26H22ClN5O
Molecular Weight455.95 g/mol
Exact Mass455.15
IUPAC Name6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCCNCc1ccc(/N=C(\c2ccc3nccnc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C26H22ClN5O/c1-2-28-15-16-3-7-19(8-4-16)31-25(17-5-10-21-23(13-17)30-12-11-29-21)24-20-9-6-18(27)14-22(20)32-26(24)33/h3-14,24,28H,2,15H2,1H3,(H,32,33)/b31-25+
InChIKeyFEOZQWKEXFEAKM-QCKNELIISA-N
XLogP5.25
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

methyl 3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91551812
5-[C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-[4-(ethylaminomethyl)phenyl]carbonimidoyl]-3H-1,3-benzoxazol-2-one
CID 91175087
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
CID 90707297
6-chloro-3-[C-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 90689200
6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90849989
methyl 3-[N-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91284870
methyl 3-[C-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylaminomethyl)phenyl]carbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91256729
ethyl 3-[C-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(ethylaminomethyl)phenyl]carbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91433807
2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
CID 91148036
6-chloro-3-[N-[4-[[di(propan-2-yl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90691181
methyl 3-[N-[4-[[2-(dimethylamino)acetyl]-methylamino]-3-fluorophenyl]-C-quinoxalin-6-ylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91595848
methyl 3-[N-[4-[2-(ethylamino)ethyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91453626

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 91512074) is 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one is CCNCc1ccc(/N=C(\c2ccc3nccnc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is FEOZQWKEXFEAKM-QCKNELIISA-N. The full InChI is InChI=1S/C26H22ClN5O/c1-2-28-15-16-3-7-19(8-4-16)31-25(17-5-10-21-23(13-17)30-12-11-29-21)24-20-9-6-18(27)14-22(20)32-26(24)33/h3-14,24,28H,2,15H2,1H3,(H,32,33)/b31-25+.
What are the key properties of 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 455.95 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91512074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).