1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

C30H28N4O — CID 57386265

IUPAC1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncccc1C1CC1)CC2
InChIInChI=1S/C30H28N4O/c35-29-30(13-16-33(17-14-30)20-27-24(21-11-12-21)7-5-15-31-27)25-8-2-4-10-28(25)34(29)23-18-22-6-1-3-9-26(22)32-19-23/h1-10,15,18-19,21H,11-14,16-17,20H2
InChIKeyRQUFXMDOUJSAEM-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.72
Rot. Bonds4

About 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 57386265) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID57386265
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncccc1C1CC1)CC2
InChIInChI=1S/C30H28N4O/c35-29-30(13-16-33(17-14-30)20-27-24(21-11-12-21)7-5-15-31-27)25-8-2-4-10-28(25)34(29)23-18-22-6-1-3-9-26(22)32-19-23/h1-10,15,18-19,21H,11-14,16-17,20H2
InChIKeyRQUFXMDOUJSAEM-UHFFFAOYSA-N
XLogP5.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (CID 57386265) is 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncccc1C1CC1)CC2.
What is the InChIKey of 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RQUFXMDOUJSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c35-29-30(13-16-33(17-14-30)20-27-24(21-11-12-21)7-5-15-31-27)25-8-2-4-10-28(25)34(29)23-18-22-6-1-3-9-26(22)32-19-23/h1-10,15,18-19,21H,11-14,16-17,20H2.
What are the key properties of 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 460.58 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57386265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).