4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C17H20N2O4 — CID 4617016

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2N1
InChIInChI=1S/C17H20N2O4/c20-15-11-13(12-3-1-2-4-14(12)18-15)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h1-4,13H,5-11H2,(H,18,20)
InChIKeyCCVBZHIAACQTIY-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.48
Rot. Bonds1

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 4617016) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID4617016
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2N1
InChIInChI=1S/C17H20N2O4/c20-15-11-13(12-3-1-2-4-14(12)18-15)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h1-4,13H,5-11H2,(H,18,20)
InChIKeyCCVBZHIAACQTIY-UHFFFAOYSA-N
XLogP1.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 4617016) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C(=O)N2CCC3(CC2)OCCO3)c2ccccc2N1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CCVBZHIAACQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-11-13(12-3-1-2-4-14(12)18-15)16(21)19-7-5-17(6-8-19)22-9-10-23-17/h1-4,13H,5-11H2,(H,18,20).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 316.36 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 4617016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).