8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C16H17ClN2O2 — CID 68789138

IUPAC8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1ccc2c(N3CCC4(CC3)OCCO4)ccnc2c1
InChIInChI=1S/C16H17ClN2O2/c17-12-1-2-13-14(11-12)18-6-3-15(13)19-7-4-16(5-8-19)20-9-10-21-16/h1-3,6,11H,4-5,7-10H2
InChIKeyPXWWGLNOCJWADA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.23
Rot. Bonds1

About 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 68789138) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID68789138
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1ccc2c(N3CCC4(CC3)OCCO4)ccnc2c1
InChIInChI=1S/C16H17ClN2O2/c17-12-1-2-13-14(11-12)18-6-3-15(13)19-7-4-16(5-8-19)20-9-10-21-16/h1-3,6,11H,4-5,7-10H2
InChIKeyPXWWGLNOCJWADA-UHFFFAOYSA-N
XLogP3.23
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

(5S)-9-(7-chloroquinolin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97200285
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756

Frequently Asked Questions

What is the IUPAC name of 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 68789138) is 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is Clc1ccc2c(N3CCC4(CC3)OCCO4)ccnc2c1.
What is the InChIKey of 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is PXWWGLNOCJWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-12-1-2-13-14(11-12)18-6-3-15(13)19-7-4-16(5-8-19)20-9-10-21-16/h1-3,6,11H,4-5,7-10H2.
What are the key properties of 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 304.78 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloroquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 68789138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).