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

C28H26N4O — CID 25173259

IUPAC1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12
InChIInChI=1S/C28H26N4O/c1-20-7-6-14-29-25(20)19-31-15-12-28(13-16-31)23-9-3-5-11-26(23)32(27(28)33)22-17-21-8-2-4-10-24(21)30-18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3
InChIKeyQSLGMVJJZCKRSJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.15
Rot. Bonds3

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

1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 25173259) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID25173259
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12
InChIInChI=1S/C28H26N4O/c1-20-7-6-14-29-25(20)19-31-15-12-28(13-16-31)23-9-3-5-11-26(23)32(27(28)33)22-17-21-8-2-4-10-24(21)30-18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3
InChIKeyQSLGMVJJZCKRSJ-UHFFFAOYSA-N
XLogP5.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (CID 25173259) is 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12.
What is the InChIKey of 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is QSLGMVJJZCKRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-20-7-6-14-29-25(20)19-31-15-12-28(13-16-31)23-9-3-5-11-26(23)32(27(28)33)22-17-21-8-2-4-10-24(21)30-18-22/h2-11,14,17-18H,12-13,15-16,19H2,1H3.
What are the key properties of 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 434.54 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 25173259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).