6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile

C18H18ClN3OS — CID 127602951

IUPAC6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C18H18ClN3OS/c19-13-1-2-16-15(7-13)17(12(9-20)10-21-16)22-14-3-5-23-18(8-14)4-6-24-11-18/h1-2,7,10,14H,3-6,8,11H2,(H,21,22)
InChIKeyOGGZEUZKCOIUTL-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.23
Rot. Bonds2

About 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile

6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile (PubChem CID 127602951) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
PubChem CID127602951
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NC1CCOC2(CCSC2)C1
InChIInChI=1S/C18H18ClN3OS/c19-13-1-2-16-15(7-13)17(12(9-20)10-21-16)22-14-3-5-23-18(8-14)4-6-24-11-18/h1-2,7,10,14H,3-6,8,11H2,(H,21,22)
InChIKeyOGGZEUZKCOIUTL-UHFFFAOYSA-N
XLogP4.23
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile
CID 133378036
2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 133377746
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
CID 97235146
5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine
CID 79900484
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167825702
2-nitro-5-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]benzonitrile
CID 124603955
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
CID 79903296
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
CID 75482481

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile (CID 127602951) is 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1NC1CCOC2(CCSC2)C1.
What is the InChIKey of 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
The InChIKey is OGGZEUZKCOIUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c19-13-1-2-16-15(7-13)17(12(9-20)10-21-16)22-14-3-5-23-18(8-14)4-6-24-11-18/h1-2,7,10,14H,3-6,8,11H2,(H,21,22).
What are the key properties of 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile?
6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile has a molecular weight of 359.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 127602951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).