8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

C22H21ClN4O — CID 162644818

IUPAC8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1cccc3cccnc13)CC2
InChIInChI=1S/C22H21ClN4O/c23-18-14-24-13-17(16-5-1-3-15-4-2-9-25-19(15)16)20(18)27-11-7-22(8-12-27)6-10-26-21(22)28/h1-5,9,13-14H,6-8,10-12H2,(H,26,28)
InChIKeySIWZAFVSQZOIPP-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.06
Rot. Bonds2

About 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one

8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162644818) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162644818
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1cccc3cccnc13)CC2
InChIInChI=1S/C22H21ClN4O/c23-18-14-24-13-17(16-5-1-3-15-4-2-9-25-19(15)16)20(18)27-11-7-22(8-12-27)6-10-26-21(22)28/h1-5,9,13-14H,6-8,10-12H2,(H,26,28)
InChIKeySIWZAFVSQZOIPP-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one (CID 162644818) is 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1cccc3cccnc13)CC2.
What is the InChIKey of 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SIWZAFVSQZOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-18-14-24-13-17(16-5-1-3-15-4-2-9-25-19(15)16)20(18)27-11-7-22(8-12-27)6-10-26-21(22)28/h1-5,9,13-14H,6-8,10-12H2,(H,26,28).
What are the key properties of 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 392.89 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-5-quinolin-8-yl-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162644818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).