6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one

C21H26N2O4 — CID 135107741

IUPAC6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)N3CCC[C@]4(CCC[C@H]4OC)C3)c(=O)c2c1
InChIInChI=1S/C21H26N2O4/c1-26-14-6-7-17-15(11-14)19(24)16(12-22-17)20(25)23-10-4-9-21(13-23)8-3-5-18(21)27-2/h6-7,11-12,18H,3-5,8-10,13H2,1-2H3,(H,22,24)/t18-,21-/m1/s1
InChIKeyDOHLBYPEXOIZAK-WIYYLYMNSA-N
MW370.45 g/mol
LogP2.96
Rot. Bonds3

About 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one

6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one (PubChem CID 135107741) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
PubChem CID135107741
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]cc(C(=O)N3CCC[C@]4(CCC[C@H]4OC)C3)c(=O)c2c1
InChIInChI=1S/C21H26N2O4/c1-26-14-6-7-17-15(11-14)19(24)16(12-22-17)20(25)23-10-4-9-21(13-23)8-3-5-18(21)27-2/h6-7,11-12,18H,3-5,8-10,13H2,1-2H3,(H,22,24)/t18-,21-/m1/s1
InChIKeyDOHLBYPEXOIZAK-WIYYLYMNSA-N
XLogP2.96
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 165427738
5-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-pyridin-2-one
CID 164690443
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxy-1H-quinolin-4-one
CID 91638334
6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 118792643
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183
1H-imidazol-5-yl-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689152
4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methyl-1H-pyridin-2-one
CID 164696636
3-[(1S,5R)-3-acetyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]-6-methoxy-1H-quinolin-4-one
CID 72905786
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 125012958
6-ethyl-3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1,5-dimethylpyridin-2-one
CID 164697429
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one (CID 135107741) is 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one is COc1ccc2[nH]cc(C(=O)N3CCC[C@]4(CCC[C@H]4OC)C3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one?
The InChIKey is DOHLBYPEXOIZAK-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-14-6-7-17-15(11-14)19(24)16(12-22-17)20(25)23-10-4-9-21(13-23)8-3-5-18(21)27-2/h6-7,11-12,18H,3-5,8-10,13H2,1-2H3,(H,22,24)/t18-,21-/m1/s1.
What are the key properties of 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one?
6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one has a molecular weight of 370.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 135107741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).