1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

C25H28N4O3 — CID 70674464

IUPAC1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCOc1ccc2ncc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2c1
InChIInChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3
InChIKeyNEAXSGQKIMMBMG-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.07
Rot. Bonds3

About 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (PubChem CID 70674464) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
PubChem CID70674464
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCOc1ccc2ncc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2c1
InChIInChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3
InChIKeyNEAXSGQKIMMBMG-UHFFFAOYSA-N
XLogP4.07
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (CID 70674464) is 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is COc1ccc2ncc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2c1.
What is the InChIKey of 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The InChIKey is NEAXSGQKIMMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23)30)6-8-28(9-7-25)24(31)18-10-17-11-20(32-3)4-5-21(17)26-14-18/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3.
What are the key properties of 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one has a molecular weight of 432.52 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 70674464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).