N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide

About N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide

N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 90707297) has the molecular formula C30H29ClN6O2 and a molecular weight of 541.06 g/mol. Its IUPAC name is N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name	N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID	90707297
Molecular Formula	C30H29ClN6O2
Molecular Weight	541.06 g/mol
Exact Mass	540.20
IUPAC Name	N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
SMILES	CC(=O)N(CCCN(C)C)c1ccc(/N=C(\c2ccc3nccnc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChI	InChI=1S/C30H29ClN6O2/c1-19(38)37(16-4-15-36(2)3)23-9-7-22(8-10-23)34-29(20-5-12-25-27(17-20)33-14-13-32-25)28-24-11-6-21(31)18-26(24)35-30(28)39/h5-14,17-18,28H,4,15-16H2,1-3H3,(H,35,39)/b34-29+
InChIKey	IJXRYQGWWCTPIM-RIHQVDFKSA-N
XLogP	5.44
TPSA	90.79 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.06
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?

The IUPAC name of N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide (CID 90707297) is N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide.

What is the SMILES notation for N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?

The canonical SMILES for N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide is CC(=O)N(CCCN(C)C)c1ccc(/N=C(\c2ccc3nccnc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1.

What is the InChIKey of N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?

The InChIKey is IJXRYQGWWCTPIM-RIHQVDFKSA-N. The full InChI is InChI=1S/C30H29ClN6O2/c1-19(38)37(16-4-15-36(2)3)23-9-7-22(8-10-23)34-29(20-5-12-25-27(17-20)33-14-13-32-25)28-24-11-6-21(31)18-26(24)35-30(28)39/h5-14,17-18,28H,4,15-16H2,1-3H3,(H,35,39)/b34-29+.

What are the key properties of N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide?

N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 541.06 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 90707297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).