N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine

C19H21N3O2S — CID 166363531

IUPACN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NCCc3nc4c(s3)COCC4)cc(C)nc2c1
InChIInChI=1S/C19H21N3O2S/c1-12-9-16(14-4-3-13(23-2)10-17(14)21-12)20-7-5-19-22-15-6-8-24-11-18(15)25-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,21)
InChIKeyJHSBRHURLWDJCB-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine

N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine (PubChem CID 166363531) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
PubChem CID166363531
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2c(NCCc3nc4c(s3)COCC4)cc(C)nc2c1
InChIInChI=1S/C19H21N3O2S/c1-12-9-16(14-4-3-13(23-2)10-17(14)21-12)20-7-5-19-22-15-6-8-24-11-18(15)25-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,21)
InChIKeyJHSBRHURLWDJCB-UHFFFAOYSA-N
XLogP3.74
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine (CID 166363531) is N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine is COc1ccc2c(NCCc3nc4c(s3)COCC4)cc(C)nc2c1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
The InChIKey is JHSBRHURLWDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-9-16(14-4-3-13(23-2)10-17(14)21-12)20-7-5-19-22-15-6-8-24-11-18(15)25-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine?
N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine has a molecular weight of 355.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 166363531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).