N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide

C26H22N4O5 — CID 135487999

IUPACN-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(C(=N/NC(=O)c2cc3ccccc3oc2=O)/N=N/c2cccc(C)c2)cc1OC
InChIInChI=1S/C26H22N4O5/c1-16-7-6-9-19(13-16)27-28-24(18-11-12-22(33-2)23(15-18)34-3)29-30-25(31)20-14-17-8-4-5-10-21(17)35-26(20)32/h4-15H,1-3H3,(H,30,31)/b28-27+,29-24-
InChIKeyPAOKCFWATNBWAJ-LTQYOYQDSA-N
MW470.49 g/mol
LogP4.99
Rot. Bonds6

About N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide

N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide (PubChem CID 135487999) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide
PubChem CID135487999
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC NameN-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(C(=N/NC(=O)c2cc3ccccc3oc2=O)/N=N/c2cccc(C)c2)cc1OC
InChIInChI=1S/C26H22N4O5/c1-16-7-6-9-19(13-16)27-28-24(18-11-12-22(33-2)23(15-18)34-3)29-30-25(31)20-14-17-8-4-5-10-21(17)35-26(20)32/h4-15H,1-3H3,(H,30,31)/b28-27+,29-24-
InChIKeyPAOKCFWATNBWAJ-LTQYOYQDSA-N
XLogP4.99
TPSA114.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
CID 135517452
N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
N-[cyano-(4-methylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 110664192
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carbohydrazide
CID 43953293
methyl 4-methoxy-3-(2-oxochromen-3-yl)benzoate
CID 91688788
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide (CID 135487999) is N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide is COc1ccc(C(=N/NC(=O)c2cc3ccccc3oc2=O)/N=N/c2cccc(C)c2)cc1OC.
What is the InChIKey of N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide?
The InChIKey is PAOKCFWATNBWAJ-LTQYOYQDSA-N. The full InChI is InChI=1S/C26H22N4O5/c1-16-7-6-9-19(13-16)27-28-24(18-11-12-22(33-2)23(15-18)34-3)29-30-25(31)20-14-17-8-4-5-10-21(17)35-26(20)32/h4-15H,1-3H3,(H,30,31)/b28-27+,29-24-.
What are the key properties of N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide?
N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3,4-dimethoxyphenyl)-[(3-methylphenyl)diazenyl]methylidene]amino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 135487999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).