4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine

C16H19N3O2 — CID 103963511

IUPAC4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1N1CCCC2(C1)OCCO2
InChIInChI=1S/C16H19N3O2/c17-13-10-18-14-5-2-1-4-12(14)15(13)19-7-3-6-16(11-19)20-8-9-21-16/h1-2,4-5,10H,3,6-9,11,17H2
InChIKeyCZJWIWLOSVXUGR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.16
Rot. Bonds1

About 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine

4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine (PubChem CID 103963511) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine
PubChem CID103963511
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1N1CCCC2(C1)OCCO2
InChIInChI=1S/C16H19N3O2/c17-13-10-18-14-5-2-1-4-12(14)15(13)19-7-3-6-16(11-19)20-8-9-21-16/h1-2,4-5,10H,3,6-9,11,17H2
InChIKeyCZJWIWLOSVXUGR-UHFFFAOYSA-N
XLogP2.16
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine?
The IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine (CID 103963511) is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine.
What is the SMILES notation for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine?
The canonical SMILES for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine is Nc1cnc2ccccc2c1N1CCCC2(C1)OCCO2.
What is the InChIKey of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine?
The InChIKey is CZJWIWLOSVXUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-13-10-18-14-5-2-1-4-12(14)15(13)19-7-3-6-16(11-19)20-8-9-21-16/h1-2,4-5,10H,3,6-9,11,17H2.
What are the key properties of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine?
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine has a molecular weight of 285.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine is sourced from PubChem (CID 103963511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).