7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine

C15H19N3OS — CID 62177692

IUPAC7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
SMILESCOc1ccc2cc(CN3CCSCC3)c(N)nc2c1
InChIInChI=1S/C15H19N3OS/c1-19-13-3-2-11-8-12(15(16)17-14(11)9-13)10-18-4-6-20-7-5-18/h2-3,8-9H,4-7,10H2,1H3,(H2,16,17)
InChIKeyQHRKYCNBZODDKP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.37
Rot. Bonds3

About 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine

7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine (PubChem CID 62177692) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
PubChem CID62177692
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine
SMILESCOc1ccc2cc(CN3CCSCC3)c(N)nc2c1
InChIInChI=1S/C15H19N3OS/c1-19-13-3-2-11-8-12(15(16)17-14(11)9-13)10-18-4-6-20-7-5-18/h2-3,8-9H,4-7,10H2,1H3,(H2,16,17)
InChIKeyQHRKYCNBZODDKP-UHFFFAOYSA-N
XLogP2.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine?
The IUPAC name of 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine (CID 62177692) is 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine is COc1ccc2cc(CN3CCSCC3)c(N)nc2c1.
What is the InChIKey of 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine?
The InChIKey is QHRKYCNBZODDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-13-3-2-11-8-12(15(16)17-14(11)9-13)10-18-4-6-20-7-5-18/h2-3,8-9H,4-7,10H2,1H3,(H2,16,17).
What are the key properties of 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine?
7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(thiomorpholin-4-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 62177692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).