10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline

C30H22N2O2 — CID 15268948

IUPAC10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline
SMILESC=C(COc1cccc2ccc3cccnc3c12)COc1cccc2ccc3cccnc3c12
InChIInChI=1S/C30H22N2O2/c1-20(18-33-25-10-2-6-21-12-14-23-8-4-16-31-29(23)27(21)25)19-34-26-11-3-7-22-13-15-24-9-5-17-32-30(24)28(22)26/h2-17H,1,18-19H2
InChIKeyJXCXOGJZAWUROZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.10
Rot. Bonds6

About 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline

10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline (PubChem CID 15268948) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline.

Molecular Properties

Compound Name10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline
PubChem CID15268948
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline
SMILESC=C(COc1cccc2ccc3cccnc3c12)COc1cccc2ccc3cccnc3c12
InChIInChI=1S/C30H22N2O2/c1-20(18-33-25-10-2-6-21-12-14-23-8-4-16-31-29(23)27(21)25)19-34-26-11-3-7-22-13-15-24-9-5-17-32-30(24)28(22)26/h2-17H,1,18-19H2
InChIKeyJXCXOGJZAWUROZ-UHFFFAOYSA-N
XLogP7.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[2-(chloromethyl)prop-2-enoxy]quinoline
CID 103066009
[2-(2-methylidenebutoxy)phenyl]-quinolin-8-ylmethanone
CID 102035670
benzo[h]quinolin-10-yl N-methylcarbamate
CID 139035586
2-quinolin-8-yloxyacetate
CID 6950984
bis(1,10-phenanthroline);ruthenium
CID 15001085
benzo[h]quinolin-10-olate
CID 101433150
benzo[h]quinolin-10-yl 3-methylbenzoate
CID 132509817
8-(chloromethoxy)quinoline
CID 79531226
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854
benzo[h]quinolin-10-ylhydrazine
CID 126501298
benzo[h]quinolin-10-ylphosphonic acid
CID 134535865
8-(6-chlorohexoxy)quinoline
CID 62228191

Frequently Asked Questions

What is the IUPAC name of 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline?
The IUPAC name of 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline (CID 15268948) is 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline.
What is the SMILES notation for 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline?
The canonical SMILES for 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline is C=C(COc1cccc2ccc3cccnc3c12)COc1cccc2ccc3cccnc3c12.
What is the InChIKey of 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline?
The InChIKey is JXCXOGJZAWUROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c1-20(18-33-25-10-2-6-21-12-14-23-8-4-16-31-29(23)27(21)25)19-34-26-11-3-7-22-13-15-24-9-5-17-32-30(24)28(22)26/h2-17H,1,18-19H2.
What are the key properties of 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline?
10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline has a molecular weight of 442.52 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(benzo[h]quinolin-10-yloxymethyl)prop-2-enoxy]benzo[h]quinoline is sourced from PubChem (CID 15268948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).