(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide

C20H17N5O2 — CID 137051549

IUPAC(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)/C=C1\Nc2ccccc2NC1=O
InChIInChI=1S/C20H17N5O2/c1-12-14(13-6-2-3-7-15(13)22-12)11-21-25-19(26)10-18-20(27)24-17-9-5-4-8-16(17)23-18/h2-11,22-23H,1H3,(H,24,27)(H,25,26)/b18-10-,21-11-
InChIKeyUPVZURUITUQUBK-OFEFNGSWSA-N
MW359.39 g/mol
LogP2.87
Rot. Bonds3

About (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide

(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide (PubChem CID 137051549) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
PubChem CID137051549
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)/C=C1\Nc2ccccc2NC1=O
InChIInChI=1S/C20H17N5O2/c1-12-14(13-6-2-3-7-15(13)22-12)11-21-25-19(26)10-18-20(27)24-17-9-5-4-8-16(17)23-18/h2-11,22-23H,1H3,(H,24,27)(H,25,26)/b18-10-,21-11-
InChIKeyUPVZURUITUQUBK-OFEFNGSWSA-N
XLogP2.87
TPSA98.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
(1S)-2,2-dibromo-1-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]cyclopropane-1-carboxamide
CID 135682606
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
1-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitroguanidine
CID 135458853
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
CID 136899350
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide (CID 137051549) is (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)/C=C1\Nc2ccccc2NC1=O.
What is the InChIKey of (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
The InChIKey is UPVZURUITUQUBK-OFEFNGSWSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-14(13-6-2-3-7-15(13)22-12)11-21-25-19(26)10-18-20(27)24-17-9-5-4-8-16(17)23-18/h2-11,22-23H,1H3,(H,24,27)(H,25,26)/b18-10-,21-11-.
What are the key properties of (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide?
(2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetamide is sourced from PubChem (CID 137051549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).