8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C22H23ClN4O2 — CID 118407974

IUPAC8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1CCc2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2N1
InChIInChI=1S/C22H23ClN4O2/c23-17-13-24-12-16(15-2-1-14-3-4-19(28)26-18(14)11-15)20(17)27-9-6-22(7-10-27)5-8-25-21(22)29/h1-2,11-13H,3-10H2,(H,25,29)(H,26,28)
InChIKeyZBIRPJGXPULCEH-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.39
Rot. Bonds2

About 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118407974) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118407974
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1CCc2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2N1
InChIInChI=1S/C22H23ClN4O2/c23-17-13-24-12-16(15-2-1-14-3-4-19(28)26-18(14)11-15)20(17)27-9-6-22(7-10-27)5-8-25-21(22)29/h1-2,11-13H,3-10H2,(H,25,29)(H,26,28)
InChIKeyZBIRPJGXPULCEH-UHFFFAOYSA-N
XLogP3.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]thiophene-2-carbaldehyde
CID 164625693
8-[3-chloro-5-(5-chlorothiophen-2-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164627305
8-[3-chloro-5-(1H-indol-3-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 162677311
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118992918
5-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-3-methylthiophene-2-carbaldehyde
CID 164610275
8-[3-chloro-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 164626240
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118408036
8-[3-chloro-5-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118408041
5-[5-chloro-4-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 118408143
4-[4-[4-[4-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]phenyl]pyrazol-1-yl]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138542919
(3-amino-1H-indazol-6-yl)boronic acid;8-[3-(3-amino-1H-indazol-6-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-(3-bromo-5-chloro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one;methane;methyl N-[6-[5-chloro-4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-1H-indazol-3-yl]carbamate
CID 159321515

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118407974) is 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1CCc2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2N1.
What is the InChIKey of 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZBIRPJGXPULCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-17-13-24-12-16(15-2-1-14-3-4-19(28)26-18(14)11-15)20(17)27-9-6-22(7-10-27)5-8-25-21(22)29/h1-2,11-13H,3-10H2,(H,25,29)(H,26,28).
What are the key properties of 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 410.91 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118407974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).