1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one

C30H28N4O — CID 57386264

IUPAC1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(C1CCCc3cccnc31)CC2
InChIInChI=1S/C30H28N4O/c35-29-30(14-17-33(18-15-30)27-13-5-8-21-9-6-16-31-28(21)27)24-10-2-4-12-26(24)34(29)23-19-22-7-1-3-11-25(22)32-20-23/h1-4,6-7,9-12,16,19-20,27H,5,8,13-15,17-18H2
InChIKeyWWOSIICLWVBNGN-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.72
Rot. Bonds2

About 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one

1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 57386264) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID57386264
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(C1CCCc3cccnc31)CC2
InChIInChI=1S/C30H28N4O/c35-29-30(14-17-33(18-15-30)27-13-5-8-21-9-6-16-31-28(21)27)24-10-2-4-12-26(24)34(29)23-19-22-7-1-3-11-25(22)32-20-23/h1-4,6-7,9-12,16,19-20,27H,5,8,13-15,17-18H2
InChIKeyWWOSIICLWVBNGN-UHFFFAOYSA-N
XLogP5.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one (CID 57386264) is 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one is O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(C1CCCc3cccnc31)CC2.
What is the InChIKey of 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is WWOSIICLWVBNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c35-29-30(14-17-33(18-15-30)27-13-5-8-21-9-6-16-31-28(21)27)24-10-2-4-12-26(24)34(29)23-19-22-7-1-3-11-25(22)32-20-23/h1-4,6-7,9-12,16,19-20,27H,5,8,13-15,17-18H2.
What are the key properties of 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one?
1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 460.58 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-1'-(5,6,7,8-tetrahydroquinolin-8-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57386264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).