2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide

C16H13N3O5 — CID 5201553

IUPAC2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
SMILESCOc1ccc2cc(C(N)=O)c(=NNC(=O)c3ccco3)oc2c1
InChIInChI=1S/C16H13N3O5/c1-22-10-5-4-9-7-11(14(17)20)16(24-13(9)8-10)19-18-15(21)12-3-2-6-23-12/h2-8H,1H3,(H2,17,20)(H,18,21)
InChIKeyROEVQSIWTPKKIA-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.38
Rot. Bonds4

About 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide

2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide (PubChem CID 5201553) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
PubChem CID5201553
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
SMILESCOc1ccc2cc(C(N)=O)c(=NNC(=O)c3ccco3)oc2c1
InChIInChI=1S/C16H13N3O5/c1-22-10-5-4-9-7-11(14(17)20)16(24-13(9)8-10)19-18-15(21)12-3-2-6-23-12/h2-8H,1H3,(H2,17,20)(H,18,21)
InChIKeyROEVQSIWTPKKIA-UHFFFAOYSA-N
XLogP1.38
TPSA120.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
CID 4133031
(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
CID 6279835
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 95796044
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
CID 43030744
N-[2-(7-methoxynaphthalen-1-yl)ethyl]furan-2-carboxamide
CID 44581533
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide?
The IUPAC name of 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide (CID 5201553) is 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide is COc1ccc2cc(C(N)=O)c(=NNC(=O)c3ccco3)oc2c1.
What is the InChIKey of 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide?
The InChIKey is ROEVQSIWTPKKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-22-10-5-4-9-7-11(14(17)20)16(24-13(9)8-10)19-18-15(21)12-3-2-6-23-12/h2-8H,1H3,(H2,17,20)(H,18,21).
What are the key properties of 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide?
2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide is sourced from PubChem (CID 5201553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).