6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide

C18H14N4O6 — CID 3576903

IUPAC6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCOc1ccc2oc(=NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C(N)=O)cc2c1
InChIInChI=1S/C18H14N4O6/c1-27-13-6-7-15-11(8-13)9-14(16(19)23)18(28-15)21-20-17(24)10-2-4-12(5-3-10)22(25)26/h2-9H,1H3,(H2,19,23)(H,20,24)
InChIKeyPCHBTTVVXZHSMM-UHFFFAOYSA-N
MW382.33 g/mol
LogP1.69
Rot. Bonds5

About 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide

6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 3576903) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID3576903
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESCOc1ccc2oc(=NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C(N)=O)cc2c1
InChIInChI=1S/C18H14N4O6/c1-27-13-6-7-15-11(8-13)9-14(16(19)23)18(28-15)21-20-17(24)10-2-4-12(5-3-10)22(25)26/h2-9H,1H3,(H2,19,23)(H,20,24)
InChIKeyPCHBTTVVXZHSMM-UHFFFAOYSA-N
XLogP1.69
TPSA150.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3459938
2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
CID 4133031
2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3876523
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
CID 5201553
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3635457
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 44916112
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 3576903) is 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide is COc1ccc2oc(=NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C(N)=O)cc2c1.
What is the InChIKey of 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is PCHBTTVVXZHSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O6/c1-27-13-6-7-15-11(8-13)9-14(16(19)23)18(28-15)21-20-17(24)10-2-4-12(5-3-10)22(25)26/h2-9H,1H3,(H2,19,23)(H,20,24).
What are the key properties of 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 382.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 3576903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).