N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide

C23H16Cl2N6O3 — CID 5479725

IUPACN-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)/C(Cc1nc2ccccc2[nH]c1=O)=N\NC(=O)c1ccncc1
InChIInChI=1S/C23H16Cl2N6O3/c24-14-9-15(25)11-16(10-14)27-23(34)20(30-31-21(32)13-5-7-26-8-6-13)12-19-22(33)29-18-4-2-1-3-17(18)28-19/h1-11H,12H2,(H,27,34)(H,29,33)(H,31,32)/b30-20-
InChIKeyQUVWDVJCYZGEHK-COEJQBHMSA-N
MW495.33 g/mol
LogP3.59
Rot. Bonds6

About N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide

N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide (PubChem CID 5479725) has the molecular formula C23H16Cl2N6O3 and a molecular weight of 495.33 g/mol. Its IUPAC name is N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide
PubChem CID5479725
Molecular FormulaC23H16Cl2N6O3
Molecular Weight495.33 g/mol
Exact Mass494.07
IUPAC NameN-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)/C(Cc1nc2ccccc2[nH]c1=O)=N\NC(=O)c1ccncc1
InChIInChI=1S/C23H16Cl2N6O3/c24-14-9-15(25)11-16(10-14)27-23(34)20(30-31-21(32)13-5-7-26-8-6-13)12-19-22(33)29-18-4-2-1-3-17(18)28-19/h1-11H,12H2,(H,27,34)(H,29,33)(H,31,32)/b30-20-
InChIKeyQUVWDVJCYZGEHK-COEJQBHMSA-N
XLogP3.59
TPSA129.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 126958668
N-(4-ethoxyphenyl)-2-hydrazinylidene-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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CID 135573341
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N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
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3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(4-fluorophenyl)-2-oxopropanamide
CID 4113472
N-[(E)-[1-(4-chloroanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide
CID 164622542
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide (CID 5479725) is N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)/C(Cc1nc2ccccc2[nH]c1=O)=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is QUVWDVJCYZGEHK-COEJQBHMSA-N. The full InChI is InChI=1S/C23H16Cl2N6O3/c24-14-9-15(25)11-16(10-14)27-23(34)20(30-31-21(32)13-5-7-26-8-6-13)12-19-22(33)29-18-4-2-1-3-17(18)28-19/h1-11H,12H2,(H,27,34)(H,29,33)(H,31,32)/b30-20-.
What are the key properties of N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide?
N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 495.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(3,5-dichloroanilino)-1-oxo-3-(3-oxo-4H-quinoxalin-2-yl)propan-2-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 5479725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).