(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione

C18H11N3O4 — CID 59072167

IUPAC(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2cccc3cccnc23)C(=O)/C1=C\c1ccco1
InChIInChI=1S/C18H11N3O4/c22-16-13(10-12-6-3-9-25-12)17(23)21(18(24)20-16)14-7-1-4-11-5-2-8-19-15(11)14/h1-10H,(H,20,22,24)/b13-10-
InChIKeyMZEPETOJTKUUMK-RAXLEYEMSA-N
MW333.30 g/mol
LogP2.49
Rot. Bonds2

About (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione

(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione (PubChem CID 59072167) has the molecular formula C18H11N3O4 and a molecular weight of 333.30 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione
PubChem CID59072167
Molecular FormulaC18H11N3O4
Molecular Weight333.30 g/mol
Exact Mass333.07
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2cccc3cccnc23)C(=O)/C1=C\c1ccco1
InChIInChI=1S/C18H11N3O4/c22-16-13(10-12-6-3-9-25-12)17(23)21(18(24)20-16)14-7-1-4-11-5-2-8-19-15(11)14/h1-10H,(H,20,22,24)/b13-10-
InChIKeyMZEPETOJTKUUMK-RAXLEYEMSA-N
XLogP2.49
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3928300
1-(4-fluorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3128350
(5E)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2179731
(5E)-1-(5-chloro-2-methylphenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 126217694
(5E)-1-(4-bromo-3-methylphenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2266185
1-(3-chloro-4-methylphenyl)-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 930498
5-(furan-2-ylmethylidene)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 747605
(5Z)-1-cyclohexyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288276
(5E)-1-benzyl-5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2288288
(5Z)-1-(4-chlorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 867946
(5E)-5-(furan-2-ylmethylidene)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 2178158
(5Z)-1-ethyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5425485

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione (CID 59072167) is (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2cccc3cccnc23)C(=O)/C1=C\c1ccco1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is MZEPETOJTKUUMK-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H11N3O4/c22-16-13(10-12-6-3-9-25-12)17(23)21(18(24)20-16)14-7-1-4-11-5-2-8-19-15(11)14/h1-10H,(H,20,22,24)/b13-10-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione?
(5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 333.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-1-quinolin-8-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59072167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).