copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline

C40H28CuN4O6Ti — CID 158944802

IUPACcopper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12.O=[Ti]=O.[Cu].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C22H16N2O4.C18H12N2.Cu.2O.Ti/c1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;;;;/h3-12H,1-2H3;1-12H;;;;
InChIKeyJKRNLGBFIQTFRD-UHFFFAOYSA-N
MW772.10 g/mol
LogP8.23
Rot. Bonds4

About copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline

copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline (PubChem CID 158944802) has the molecular formula C40H28CuN4O6Ti and a molecular weight of 772.10 g/mol. Its IUPAC name is copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline.

Molecular Properties

Compound Namecopper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
PubChem CID158944802
Molecular FormulaC40H28CuN4O6Ti
Molecular Weight772.10 g/mol
Exact Mass771.08
IUPAC Namecopper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
SMILESCOC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12.O=[Ti]=O.[Cu].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C22H16N2O4.C18H12N2.Cu.2O.Ti/c1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;;;;/h3-12H,1-2H3;1-12H;;;;
InChIKeyJKRNLGBFIQTFRD-UHFFFAOYSA-N
XLogP8.23
TPSA138.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.10
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline with MolForge

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Related Compounds

methyl 3-quinolin-2-ylnaphthalene-1-carboxylate
CID 141463959
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
methyl acridine-1-carboxylate
CID 54560619
methyl 2-ethenylquinoline-4-carboxylate
CID 150736988
methyl 2-(4-azidophenyl)quinoline-4-carboxylate
CID 169325072
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939

Frequently Asked Questions

What is the IUPAC name of copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline?
The IUPAC name of copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline (CID 158944802) is copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline.
What is the SMILES notation for copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline?
The canonical SMILES for copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline is COC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12.O=[Ti]=O.[Cu].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline?
The InChIKey is JKRNLGBFIQTFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4.C18H12N2.Cu.2O.Ti/c1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;;;;/h3-12H,1-2H3;1-12H;;;;.
What are the key properties of copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline?
copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline has a molecular weight of 772.10 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline is sourced from PubChem (CID 158944802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).