methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate

C19H18N4O2 — CID 157044241

IUPACmethyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccnc3ccc(N4CCC4)cc23)cn1
InChIInChI=1S/C19H18N4O2/c1-25-19(24)18-5-3-13(12-21-18)22-17-7-8-20-16-6-4-14(11-15(16)17)23-9-2-10-23/h3-8,11-12H,2,9-10H2,1H3,(H,20,22)
InChIKeyPFWSTNKVVZFAOI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.37
Rot. Bonds4

About methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate

methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate (PubChem CID 157044241) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate
PubChem CID157044241
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namemethyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2ccnc3ccc(N4CCC4)cc23)cn1
InChIInChI=1S/C19H18N4O2/c1-25-19(24)18-5-3-13(12-21-18)22-17-7-8-20-16-6-4-14(11-15(16)17)23-9-2-10-23/h3-8,11-12H,2,9-10H2,1H3,(H,20,22)
InChIKeyPFWSTNKVVZFAOI-UHFFFAOYSA-N
XLogP3.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate (CID 157044241) is methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(Nc2ccnc3ccc(N4CCC4)cc23)cn1.
What is the InChIKey of methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate?
The InChIKey is PFWSTNKVVZFAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-19(24)18-5-3-13(12-21-18)22-17-7-8-20-16-6-4-14(11-15(16)17)23-9-2-10-23/h3-8,11-12H,2,9-10H2,1H3,(H,20,22).
What are the key properties of methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate?
methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(azetidin-1-yl)quinolin-4-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 157044241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).