2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C21H29N3O3 — CID 72913106

IUPAC2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)C1=O
InChIInChI=1S/C21H29N3O3/c1-14(2)24-10-5-8-21(20(24)27)9-11-23(13-21)19(26)16-12-15-6-3-4-7-17(15)22-18(16)25/h12,14H,3-11,13H2,1-2H3,(H,22,25)
InChIKeyRBWRNUMZRQEIQI-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72913106) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72913106
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)C1=O
InChIInChI=1S/C21H29N3O3/c1-14(2)24-10-5-8-21(20(24)27)9-11-23(13-21)19(26)16-12-15-6-3-4-7-17(15)22-18(16)25/h12,14H,3-11,13H2,1-2H3,(H,22,25)
InChIKeyRBWRNUMZRQEIQI-UHFFFAOYSA-N
XLogP2.12
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72913106) is 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)C1=O.
What is the InChIKey of 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RBWRNUMZRQEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14(2)24-10-5-8-21(20(24)27)9-11-23(13-21)19(26)16-12-15-6-3-4-7-17(15)22-18(16)25/h12,14H,3-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.48 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72913106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).