(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone

C18H21N3O2 — CID 155955126

IUPAC(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone
SMILESNC1CN(C(=O)c2ccc3ccccc3n2)CC12CCOCC2
InChIInChI=1S/C18H21N3O2/c19-16-11-21(12-18(16)7-9-23-10-8-18)17(22)15-6-5-13-3-1-2-4-14(13)20-15/h1-6,16H,7-12,19H2
InChIKeyODZQFRBCDVQPGX-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.81
Rot. Bonds1

About (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone

(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone (PubChem CID 155955126) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone
PubChem CID155955126
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone
SMILESNC1CN(C(=O)c2ccc3ccccc3n2)CC12CCOCC2
InChIInChI=1S/C18H21N3O2/c19-16-11-21(12-18(16)7-9-23-10-8-18)17(22)15-6-5-13-3-1-2-4-14(13)20-15/h1-6,16H,7-12,19H2
InChIKeyODZQFRBCDVQPGX-UHFFFAOYSA-N
XLogP1.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone?
The IUPAC name of (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone (CID 155955126) is (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone is NC1CN(C(=O)c2ccc3ccccc3n2)CC12CCOCC2.
What is the InChIKey of (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone?
The InChIKey is ODZQFRBCDVQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-16-11-21(12-18(16)7-9-23-10-8-18)17(22)15-6-5-13-3-1-2-4-14(13)20-15/h1-6,16H,7-12,19H2.
What are the key properties of (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone?
(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone has a molecular weight of 311.38 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 155955126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).