N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C18H19ClN4S — CID 162674271

IUPACN-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2nccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H19ClN4S/c1-23(2)9-7-20-17-12-14(4-6-18-21-8-10-24-18)22-16-5-3-13(19)11-15(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,22)/b6-4+
InChIKeyHMZUXRWZXQMUMR-GQCTYLIASA-N
MW358.90 g/mol
LogP4.49
Rot. Bonds6

About N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 162674271) has the molecular formula C18H19ClN4S and a molecular weight of 358.90 g/mol. Its IUPAC name is N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID162674271
Molecular FormulaC18H19ClN4S
Molecular Weight358.90 g/mol
Exact Mass358.10
IUPAC NameN-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(/C=C/c2nccs2)nc2ccc(Cl)cc12
InChIInChI=1S/C18H19ClN4S/c1-23(2)9-7-20-17-12-14(4-6-18-21-8-10-24-18)22-16-5-3-13(19)11-15(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,22)/b6-4+
InChIKeyHMZUXRWZXQMUMR-GQCTYLIASA-N
XLogP4.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 162674271) is N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(/C=C/c2nccs2)nc2ccc(Cl)cc12.
What is the InChIKey of N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HMZUXRWZXQMUMR-GQCTYLIASA-N. The full InChI is InChI=1S/C18H19ClN4S/c1-23(2)9-7-20-17-12-14(4-6-18-21-8-10-24-18)22-16-5-3-13(19)11-15(16)17/h3-6,8,10-12H,7,9H2,1-2H3,(H,20,22)/b6-4+.
What are the key properties of N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 358.90 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162674271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).