1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea

C25H24N4O5 — CID 67471492

IUPAC1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c2C2CC4(CCN2C3=O)OCCO4)nc2ccccc12
InChIInChI=1S/C25H24N4O5/c1-32-20-13-21(26-17-7-3-2-5-15(17)20)28-24(31)27-18-8-4-6-16-22(18)19-14-25(33-11-12-34-25)9-10-29(19)23(16)30/h2-8,13,19H,9-12,14H2,1H3,(H2,26,27,28,31)
InChIKeyLJSYPHPOBXVOMW-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.92
Rot. Bonds3

About 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea

1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea (PubChem CID 67471492) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
PubChem CID67471492
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c2C2CC4(CCN2C3=O)OCCO4)nc2ccccc12
InChIInChI=1S/C25H24N4O5/c1-32-20-13-21(26-17-7-3-2-5-15(17)20)28-24(31)27-18-8-4-6-16-22(18)19-14-25(33-11-12-34-25)9-10-29(19)23(16)30/h2-8,13,19H,9-12,14H2,1H3,(H2,26,27,28,31)
InChIKeyLJSYPHPOBXVOMW-UHFFFAOYSA-N
XLogP3.92
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea?
The IUPAC name of 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea (CID 67471492) is 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea.
What is the SMILES notation for 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea?
The canonical SMILES for 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea is COc1cc(NC(=O)Nc2cccc3c2C2CC4(CCN2C3=O)OCCO4)nc2ccccc12.
What is the InChIKey of 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea?
The InChIKey is LJSYPHPOBXVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-32-20-13-21(26-17-7-3-2-5-15(17)20)28-24(31)27-18-8-4-6-16-22(18)19-14-25(33-11-12-34-25)9-10-29(19)23(16)30/h2-8,13,19H,9-12,14H2,1H3,(H2,26,27,28,31).
What are the key properties of 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea?
1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea has a molecular weight of 460.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyquinolin-2-yl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea is sourced from PubChem (CID 67471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).