(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H29N3O2 — CID 97140470

IUPAC(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCN4)C2)C1=O
InChIInChI=1S/C21H29N3O2/c1-2-11-23-12-4-8-21(20(23)26)9-13-24(15-21)19(25)17-6-7-18-16(14-17)5-3-10-22-18/h6-7,14,22H,2-5,8-13,15H2,1H3/t21-/m0/s1
InChIKeyRDNWABFVEWJIGV-NRFANRHFSA-N
MW355.48 g/mol
LogP2.91
Rot. Bonds3

About (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97140470) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97140470
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCN4)C2)C1=O
InChIInChI=1S/C21H29N3O2/c1-2-11-23-12-4-8-21(20(23)26)9-13-24(15-21)19(25)17-6-7-18-16(14-17)5-3-10-22-18/h6-7,14,22H,2-5,8-13,15H2,1H3/t21-/m0/s1
InChIKeyRDNWABFVEWJIGV-NRFANRHFSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124790
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 176500159
(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25299094
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 107218755
7-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 72923527
1-[2-oxo-2-[(5S)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]pyrimidine-2,4-dione
CID 97109901
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574

Frequently Asked Questions

What is the IUPAC name of (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97140470) is (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCN4)C2)C1=O.
What is the InChIKey of (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RDNWABFVEWJIGV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-11-23-12-4-8-21(20(23)26)9-13-24(15-21)19(25)17-6-7-18-16(14-17)5-3-10-22-18/h6-7,14,22H,2-5,8-13,15H2,1H3/t21-/m0/s1.
What are the key properties of (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 355.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97140470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).