4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide

C29H31ClN4O2 — CID 90948774

IUPAC4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C29H31ClN4O2/c1-4-34(18-8-17-33(2)3)29(36)21-11-14-23(15-12-21)31-27(20-9-6-5-7-10-20)26-24-16-13-22(30)19-25(24)32-28(26)35/h5-7,9-16,19,26H,4,8,17-18H2,1-3H3,(H,32,35)/b31-27+
InChIKeyILZLWXUAZYHKCW-TVKQRKNISA-N
MW503.05 g/mol
LogP5.61
Rot. Bonds9

About 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide

4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide (PubChem CID 90948774) has the molecular formula C29H31ClN4O2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
PubChem CID90948774
Molecular FormulaC29H31ClN4O2
Molecular Weight503.05 g/mol
Exact Mass502.21
IUPAC Name4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CCCN(C)C)C(=O)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C29H31ClN4O2/c1-4-34(18-8-17-33(2)3)29(36)21-11-14-23(15-12-21)31-27(20-9-6-5-7-10-20)26-24-16-13-22(30)19-25(24)32-28(26)35/h5-7,9-16,19,26H,4,8,17-18H2,1-3H3,(H,32,35)/b31-27+
InChIKeyILZLWXUAZYHKCW-TVKQRKNISA-N
XLogP5.61
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90849989
2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
CID 91148036
3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 57206579
6-chloro-3-[C-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 90689200
methyl 3-[N-[4-[[3-(dimethylamino)propyl-methylamino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91615607
N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 91315699
6-chloro-3-[N-(4-iodophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91458345
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(3,4-diaminophenyl)methylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
CID 90868806
2-[4-[C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-[4-[5-(dimethylamino)pentanoyl-methylamino]phenyl]carbonimidoyl]phenyl]acetic acid
CID 90808358
N-[[3-[N-[4-[acetyl-[3-(dimethylamino)propyl]amino]phenyl]-C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)carbonimidoyl]phenyl]methyl]acetamide
CID 91011066
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
CID 90707297
3-[3-[C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-N-[4-[4-(dimethylamino)butanoyl-methylamino]phenyl]carbonimidoyl]phenyl]propanoic acid
CID 91411024

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
The IUPAC name of 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide (CID 90948774) is 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide is CCN(CCCN(C)C)C(=O)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
The InChIKey is ILZLWXUAZYHKCW-TVKQRKNISA-N. The full InChI is InChI=1S/C29H31ClN4O2/c1-4-34(18-8-17-33(2)3)29(36)21-11-14-23(15-12-21)31-27(20-9-6-5-7-10-20)26-24-16-13-22(30)19-25(24)32-28(26)35/h5-7,9-16,19,26H,4,8,17-18H2,1-3H3,(H,32,35)/b31-27+.
What are the key properties of 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide?
4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide has a molecular weight of 503.05 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]-N-[3-(dimethylamino)propyl]-N-ethylbenzamide is sourced from PubChem (CID 90948774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).