[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate

C23H17N3O3 — CID 129441462

IUPAC[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C\c1ccco1)Oc1ccc(C=NNc2cccc3cccnc23)cc1
InChIInChI=1S/C23H17N3O3/c27-22(13-12-19-6-3-15-28-19)29-20-10-8-17(9-11-20)16-25-26-21-7-1-4-18-5-2-14-24-23(18)21/h1-16,26H/b13-12-,25-16?
InChIKeyZRVHOUMRNYAMIR-NYODGNMJSA-N
MW383.41 g/mol
LogP4.89
Rot. Bonds6

About [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate

[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate (PubChem CID 129441462) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
PubChem CID129441462
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C\c1ccco1)Oc1ccc(C=NNc2cccc3cccnc23)cc1
InChIInChI=1S/C23H17N3O3/c27-22(13-12-19-6-3-15-28-19)29-20-10-8-17(9-11-20)16-25-26-21-7-1-4-18-5-2-14-24-23(18)21/h1-16,26H/b13-12-,25-16?
InChIKeyZRVHOUMRNYAMIR-NYODGNMJSA-N
XLogP4.89
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5446419
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
CID 129440011
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 3983448
N-[(E)-(5-iodofuran-2-yl)methylideneamino]quinolin-8-amine
CID 45037906
[4-[(E)-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 43907008
[4-[(Z)-[[2-(2-bromo-4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
CID 6321739
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
[4-[[[2-[2,6-dibromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenyl] 3-(furan-2-yl)prop-2-enoate
CID 4525505
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
(4-nitrophenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 7005052

Frequently Asked Questions

What is the IUPAC name of [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate (CID 129441462) is [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C\c1ccco1)Oc1ccc(C=NNc2cccc3cccnc23)cc1.
What is the InChIKey of [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is ZRVHOUMRNYAMIR-NYODGNMJSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22(13-12-19-6-3-15-28-19)29-20-10-8-17(9-11-20)16-25-26-21-7-1-4-18-5-2-14-24-23(18)21/h1-16,26H/b13-12-,25-16?.
What are the key properties of [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate?
[4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 383.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(quinolin-8-ylhydrazinylidene)methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 129441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).