(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

C26H29N3O — CID 95860788

IUPAC(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)c5ccccc5n4)C3)C2=O)c1
InChIInChI=1S/C26H29N3O/c1-19-7-5-8-21(15-19)17-28-13-6-11-26(25(28)30)12-14-29(18-26)24-16-20(2)22-9-3-4-10-23(22)27-24/h3-5,7-10,15-16H,6,11-14,17-18H2,1-2H3/t26-/m0/s1
InChIKeyZMRXLSSYVANMKO-SANMLTNESA-N
MW399.54 g/mol
LogP4.87
Rot. Bonds3

About (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95860788) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95860788
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)c5ccccc5n4)C3)C2=O)c1
InChIInChI=1S/C26H29N3O/c1-19-7-5-8-21(15-19)17-28-13-6-11-26(25(28)30)12-14-29(18-26)24-16-20(2)22-9-3-4-10-23(22)27-24/h3-5,7-10,15-16H,6,11-14,17-18H2,1-2H3/t26-/m0/s1
InChIKeyZMRXLSSYVANMKO-SANMLTNESA-N
XLogP4.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
(5S)-7-[(3-methylphenyl)methyl]-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 42344770
(5R)-2-[(3-methylphenyl)methyl]-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97385757
2-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118744004
7-[(3-methylphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205279
(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95861653
(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97197350
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
2-butanoyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45179241
(5R)-2-(8-methoxy-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200151

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 95860788) is (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)c5ccccc5n4)C3)C2=O)c1.
What is the InChIKey of (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZMRXLSSYVANMKO-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O/c1-19-7-5-8-21(15-19)17-28-13-6-11-26(25(28)30)12-14-29(18-26)24-16-20(2)22-9-3-4-10-23(22)27-24/h3-5,7-10,15-16H,6,11-14,17-18H2,1-2H3/t26-/m0/s1.
What are the key properties of (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 399.54 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95860788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).