N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide

C24H30N6S — CID 163213863

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide
SMILESS=C(N/N=C1\CCCc2cccnc21)N1CCC2(CC1)CCN(c1ccccn1)CC2
InChIInChI=1S/C24H30N6S/c31-23(28-27-20-7-3-5-19-6-4-14-26-22(19)20)30-17-11-24(12-18-30)9-15-29(16-10-24)21-8-1-2-13-25-21/h1-2,4,6,8,13-14H,3,5,7,9-12,15-18H2,(H,28,31)/b27-20+
InChIKeyFVBWDISUXSYNHO-NHFJDJAPSA-N
MW434.61 g/mol
LogP3.77
Rot. Bonds2

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide (PubChem CID 163213863) has the molecular formula C24H30N6S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide
PubChem CID163213863
Molecular FormulaC24H30N6S
Molecular Weight434.61 g/mol
Exact Mass434.23
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide
SMILESS=C(N/N=C1\CCCc2cccnc21)N1CCC2(CC1)CCN(c1ccccn1)CC2
InChIInChI=1S/C24H30N6S/c31-23(28-27-20-7-3-5-19-6-4-14-26-22(19)20)30-17-11-24(12-18-30)9-15-29(16-10-24)21-8-1-2-13-25-21/h1-2,4,6,8,13-14H,3,5,7,9-12,15-18H2,(H,28,31)/b27-20+
InChIKeyFVBWDISUXSYNHO-NHFJDJAPSA-N
XLogP3.77
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide 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

7-(4-cyano-2-pyridinyl)-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2,7-diazaspiro[3.5]nonane-2-carbothioamide
CID 163213865
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-(4-methoxy-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carbothioamide
CID 163213850
N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 126555887
N-[(Z)-[2-amino-3-[(1Z)-buta-1,3-dienyl]cyclohex-2-en-1-ylidene]amino]-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 89140367
5-pyridin-2-yl-1,5-diazocane-1-carbothiohydrazide
CID 175705075
4-methyl-N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide
CID 126555626
4-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]piperazine-1-carbothioamide
CID 25112862
4-pyridin-2-yl-N-[(Z)-1-quinolin-8-ylethylideneamino]piperazine-1-carbothioamide
CID 5464857
9-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 175764733
4-acetyl-N-[(Z)-2,3-dihydro-1H-1,5-naphthyridin-4-ylideneamino]piperazine-1-carbothioamide
CID 137033746
N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-propan-2-ylpiperazine-1-carbothioamide
CID 126555600
N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
CID 3003931

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide (CID 163213863) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide is S=C(N/N=C1\CCCc2cccnc21)N1CCC2(CC1)CCN(c1ccccn1)CC2.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide?
The InChIKey is FVBWDISUXSYNHO-NHFJDJAPSA-N. The full InChI is InChI=1S/C24H30N6S/c31-23(28-27-20-7-3-5-19-6-4-14-26-22(19)20)30-17-11-24(12-18-30)9-15-29(16-10-24)21-8-1-2-13-25-21/h1-2,4,6,8,13-14H,3,5,7,9-12,15-18H2,(H,28,31)/b27-20+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide has a molecular weight of 434.61 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-9-pyridin-2-yl-3,9-diazaspiro[5.5]undecane-3-carbothioamide is sourced from PubChem (CID 163213863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).