S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine

C18H28N6O2S — CID 153348949

IUPACS-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine
SMILESCNc1nc(N2CCC(CCNSN)CC2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C18H28N6O2S/c1-20-18-22-14-11-16(26-3)15(25-2)10-13(14)17(23-18)24-8-5-12(6-9-24)4-7-21-27-19/h10-12,21H,4-9,19H2,1-3H3,(H,20,22,23)
InChIKeyUKWLRZFGLPATQO-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.41
Rot. Bonds8

About S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine

S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine (PubChem CID 153348949) has the molecular formula C18H28N6O2S and a molecular weight of 392.53 g/mol. Its IUPAC name is S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine
PubChem CID153348949
Molecular FormulaC18H28N6O2S
Molecular Weight392.53 g/mol
Exact Mass392.20
IUPAC NameS-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine
SMILESCNc1nc(N2CCC(CCNSN)CC2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C18H28N6O2S/c1-20-18-22-14-11-16(26-3)15(25-2)10-13(14)17(23-18)24-8-5-12(6-9-24)4-7-21-27-19/h10-12,21H,4-9,19H2,1-3H3,(H,20,22,23)
InChIKeyUKWLRZFGLPATQO-UHFFFAOYSA-N
XLogP2.41
TPSA97.56 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine 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

N-(difluoromethylsulfanyl)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanamine
CID 142539742
2-amino-6,7-dimethoxy-4-[4-[2-(sulfinatoamino)ethyl]piperidin-1-yl]quinazoline
CID 154630897
2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
CID 175341793
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
2-[1-(2-cyclopropyloxy-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175385661
7-chloro-6-methoxy-4-[4-[2-(sulfinatoamino)ethyl]piperidin-1-yl]quinazoline
CID 155100120

Frequently Asked Questions

What is the IUPAC name of S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine?
The IUPAC name of S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine (CID 153348949) is S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine.
What is the SMILES notation for S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine?
The canonical SMILES for S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine is CNc1nc(N2CCC(CCNSN)CC2)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine?
The InChIKey is UKWLRZFGLPATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2S/c1-20-18-22-14-11-16(26-3)15(25-2)10-13(14)17(23-18)24-8-5-12(6-9-24)4-7-21-27-19/h10-12,21H,4-9,19H2,1-3H3,(H,20,22,23).
What are the key properties of S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine?
S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine has a molecular weight of 392.53 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[1-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]piperidin-4-yl]ethylamino]thiohydroxylamine is sourced from PubChem (CID 153348949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).