(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one

C20H27N3O2 — CID 97154582

IUPAC(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1CC[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C20H27N3O2/c1-15-5-6-17-16(12-15)4-2-10-23(17)18(24)13-22-11-8-20(14-22)7-3-9-21-19(20)25/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,21,25)/t20-/m0/s1
InChIKeyYHBLITFWIOSOLH-FQEVSTJZSA-N
MW341.46 g/mol
LogP1.88
Rot. Bonds2

About (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97154582) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97154582
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ccc2c(c1)CCCN2C(=O)CN1CC[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C20H27N3O2/c1-15-5-6-17-16(12-15)4-2-10-23(17)18(24)13-22-11-8-20(14-22)7-3-9-21-19(20)25/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,21,25)/t20-/m0/s1
InChIKeyYHBLITFWIOSOLH-FQEVSTJZSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72841521
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
6-methyl-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51149010
(1-aminocyclobutyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81178918
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
10-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acridin-9-one
CID 25332662
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207
6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97145463
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119685868
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97154582) is (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1ccc2c(c1)CCCN2C(=O)CN1CC[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YHBLITFWIOSOLH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-5-6-17-16(12-15)4-2-10-23(17)18(24)13-22-11-8-20(14-22)7-3-9-21-19(20)25/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,21,25)/t20-/m0/s1.
What are the key properties of (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 341.46 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97154582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).