4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile

C19H21N3O2 — CID 27372109

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile
SMILESCCc1ccc2ncc(C#N)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C19H21N3O2/c1-2-14-3-4-17-16(11-14)18(15(12-20)13-21-17)22-7-5-19(6-8-22)23-9-10-24-19/h3-4,11,13H,2,5-10H2,1H3
InChIKeyCSWOGGYCCIPCKI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.01
Rot. Bonds2

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile (PubChem CID 27372109) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile
PubChem CID27372109
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile
SMILESCCc1ccc2ncc(C#N)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C19H21N3O2/c1-2-14-3-4-17-16(11-14)18(15(12-20)13-21-17)22-7-5-19(6-8-22)23-9-10-24-19/h3-4,11,13H,2,5-10H2,1H3
InChIKeyCSWOGGYCCIPCKI-UHFFFAOYSA-N
XLogP3.01
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile (CID 27372109) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile is CCc1ccc2ncc(C#N)c(N3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile?
The InChIKey is CSWOGGYCCIPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-14-3-4-17-16(11-14)18(15(12-20)13-21-17)22-7-5-19(6-8-22)23-9-10-24-19/h3-4,11,13H,2,5-10H2,1H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylquinoline-3-carbonitrile is sourced from PubChem (CID 27372109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).