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

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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).