4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile

C20H23N3O — CID 133378036

IUPAC4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H23N3O/c21-13-15-14-22-18-7-3-2-6-17(18)19(15)23-16-8-11-24-20(12-16)9-4-1-5-10-20/h2-3,6-7,14,16H,1,4-5,8-12H2,(H,22,23)
InChIKeyVNFYMCTXBDROFU-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.40
Rot. Bonds2

About 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile

4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile (PubChem CID 133378036) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile
PubChem CID133378036
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C20H23N3O/c21-13-15-14-22-18-7-3-2-6-17(18)19(15)23-16-8-11-24-20(12-16)9-4-1-5-10-20/h2-3,6-7,14,16H,1,4-5,8-12H2,(H,22,23)
InChIKeyVNFYMCTXBDROFU-UHFFFAOYSA-N
XLogP4.40
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-oxaspiro[5.5]undecan-4-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

6-(difluoromethoxy)-4-(6-oxaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 133377746
6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 127602951
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
4-[(3-methylcyclohexyl)amino]quinoline-3-carbonitrile
CID 43668993
3,5-difluoro-4-(1-oxaspiro[5.5]undecan-4-ylamino)benzonitrile
CID 133377939
6-nitro-2-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-4-carbonitrile
CID 133377952
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 133377678
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
6-(6-oxaspiro[4.5]decan-9-ylamino)pyridazine-3-carbonitrile
CID 133421174
4-[(1-methylcyclopropyl)amino]quinoline-3-carbonitrile
CID 113485505
4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
CID 79903296

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile (CID 133378036) is 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NC1CCOC2(CCCCC2)C1.
What is the InChIKey of 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile?
The InChIKey is VNFYMCTXBDROFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-13-15-14-22-18-7-3-2-6-17(18)19(15)23-16-8-11-24-20(12-16)9-4-1-5-10-20/h2-3,6-7,14,16H,1,4-5,8-12H2,(H,22,23).
What are the key properties of 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile?
4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile has a molecular weight of 321.42 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[5.5]undecan-4-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 133378036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).