5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione

C19H12N2O3 — CID 19041985

IUPAC5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione
SMILESC=C1C(=O)NC(=O)c2cc(-c3ccc4ccccc4n3)cc(O)c21
InChIInChI=1S/C19H12N2O3/c1-10-17-13(19(24)21-18(10)23)8-12(9-16(17)22)15-7-6-11-4-2-3-5-14(11)20-15/h2-9,22H,1H2,(H,21,23,24)
InChIKeyZTSMFYNGMIJQDE-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.89
Rot. Bonds1

About 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione

5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione (PubChem CID 19041985) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione
PubChem CID19041985
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione
SMILESC=C1C(=O)NC(=O)c2cc(-c3ccc4ccccc4n3)cc(O)c21
InChIInChI=1S/C19H12N2O3/c1-10-17-13(19(24)21-18(10)23)8-12(9-16(17)22)15-7-6-11-4-2-3-5-14(11)20-15/h2-9,22H,1H2,(H,21,23,24)
InChIKeyZTSMFYNGMIJQDE-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
2,12,14,24-tetrazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene-3,15-dione
CID 130399990
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
4-(5-methyl-4-quinolin-2-yl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 135573794
iridium;tris(2-phenylquinoline)
CID 122129463
CID 123872189
CID 123872189
methyl 3-quinolin-2-ylnaphthalene-1-carboxylate
CID 141463959
5-bromo-4-hydroxy-2-quinolin-2-yl-1H-pyrimidin-6-one
CID 66284746
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-(4-fluorophenyl)quinoline;2,4,6-trinitrophenol
CID 13224226
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione?
The IUPAC name of 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione (CID 19041985) is 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione.
What is the SMILES notation for 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione?
The canonical SMILES for 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione is C=C1C(=O)NC(=O)c2cc(-c3ccc4ccccc4n3)cc(O)c21.
What is the InChIKey of 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione?
The InChIKey is ZTSMFYNGMIJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c1-10-17-13(19(24)21-18(10)23)8-12(9-16(17)22)15-7-6-11-4-2-3-5-14(11)20-15/h2-9,22H,1H2,(H,21,23,24).
What are the key properties of 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione?
5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione has a molecular weight of 316.32 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methylidene-7-quinolin-2-ylisoquinoline-1,3-dione is sourced from PubChem (CID 19041985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).