7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine

C14H14Cl2N2O2S — CID 97335193

IUPAC7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine
SMILESO=S1(=O)CC[C@H](CNc2ccc3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C14H14Cl2N2O2S/c15-11-3-1-10-2-4-12(18-14(10)13(11)16)17-7-9-5-6-21(19,20)8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1
InChIKeyOCFDDOCCZDQULC-SECBINFHSA-N
MW345.25 g/mol
LogP3.39
Rot. Bonds3

About 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine

7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine (PubChem CID 97335193) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine
PubChem CID97335193
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine
SMILESO=S1(=O)CC[C@H](CNc2ccc3ccc(Cl)c(Cl)c3n2)C1
InChIInChI=1S/C14H14Cl2N2O2S/c15-11-3-1-10-2-4-12(18-14(10)13(11)16)17-7-9-5-6-21(19,20)8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1
InChIKeyOCFDDOCCZDQULC-SECBINFHSA-N
XLogP3.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine 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-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566
N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80907896
2-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 83077156
6-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2,3-diamine
CID 113316900
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475447
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80964275
2-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-N-ethylpyrimidine-2,4-diamine
CID 95138074
4-chloro-2-[(1,1-dioxothiolan-3-yl)methylamino]benzenecarbothioamide
CID 63094532
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
2,6-ditert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]pyrimidin-4-amine
CID 133367935

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine?
The IUPAC name of 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine (CID 97335193) is 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine.
What is the SMILES notation for 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine?
The canonical SMILES for 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine is O=S1(=O)CC[C@H](CNc2ccc3ccc(Cl)c(Cl)c3n2)C1.
What is the InChIKey of 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine?
The InChIKey is OCFDDOCCZDQULC-SECBINFHSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-11-3-1-10-2-4-12(18-14(10)13(11)16)17-7-9-5-6-21(19,20)8-9/h1-4,9H,5-8H2,(H,17,18)/t9-/m1/s1.
What are the key properties of 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine?
7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine has a molecular weight of 345.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]quinolin-2-amine is sourced from PubChem (CID 97335193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).