7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide

C19H15N3O7 — CID 5262575

IUPAC7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide
SMILESCOc1ccc2cc(C(=O)NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1
InChIInChI=1S/C19H15N3O7/c1-28-14-7-4-12-9-15(19(25)29-16(12)10-14)18(24)21-20-17(23)8-11-2-5-13(6-3-11)22(26)27/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyVLIWBFYMJYPQIC-UHFFFAOYSA-N
MW397.34 g/mol
LogP1.71
Rot. Bonds5

About 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide

7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide (PubChem CID 5262575) has the molecular formula C19H15N3O7 and a molecular weight of 397.34 g/mol. Its IUPAC name is 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound Name7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide
PubChem CID5262575
Molecular FormulaC19H15N3O7
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC Name7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide
SMILESCOc1ccc2cc(C(=O)NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1
InChIInChI=1S/C19H15N3O7/c1-28-14-7-4-12-9-15(19(25)29-16(12)10-14)18(24)21-20-17(23)8-11-2-5-13(6-3-11)22(26)27/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyVLIWBFYMJYPQIC-UHFFFAOYSA-N
XLogP1.71
TPSA140.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
N'-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 3131118
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
[2-oxo-3-(prop-2-enylcarbamoyl)chromen-7-yl] 2-(4-nitrophenoxy)acetate
CID 19186840
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1259055
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
(3-carbamoyl-2-oxochromen-7-yl) 2-(4-nitrophenoxy)acetate
CID 19186849

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide?
The IUPAC name of 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide (CID 5262575) is 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide?
The canonical SMILES for 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide is COc1ccc2cc(C(=O)NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide?
The InChIKey is VLIWBFYMJYPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O7/c1-28-14-7-4-12-9-15(19(25)29-16(12)10-14)18(24)21-20-17(23)8-11-2-5-13(6-3-11)22(26)27/h2-7,9-10H,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide?
7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide has a molecular weight of 397.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N'-[2-(4-nitrophenyl)acetyl]-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 5262575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).