methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate

C21H17N3O2S — CID 58657111

IUPACmethyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NCc3ccc4ccccc4n3)cn2)s1
InChIInChI=1S/C21H17N3O2S/c1-26-21(25)20-11-10-19(27-20)18-9-8-15(12-23-18)22-13-16-7-6-14-4-2-3-5-17(14)24-16/h2-12,22H,13H2,1H3
InChIKeySWFILPMBUSQURM-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.76
Rot. Bonds5

About methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate

methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate (PubChem CID 58657111) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate
PubChem CID58657111
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Namemethyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(NCc3ccc4ccccc4n3)cn2)s1
InChIInChI=1S/C21H17N3O2S/c1-26-21(25)20-11-10-19(27-20)18-9-8-15(12-23-18)22-13-16-7-6-14-4-2-3-5-17(14)24-16/h2-12,22H,13H2,1H3
InChIKeySWFILPMBUSQURM-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate (CID 58657111) is methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(NCc3ccc4ccccc4n3)cn2)s1.
What is the InChIKey of methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate?
The InChIKey is SWFILPMBUSQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-26-21(25)20-11-10-19(27-20)18-9-8-15(12-23-18)22-13-16-7-6-14-4-2-3-5-17(14)24-16/h2-12,22H,13H2,1H3.
What are the key properties of methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate?
methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(quinolin-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxylate is sourced from PubChem (CID 58657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).