methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate

C17H16N2O3 — CID 53013904

IUPACmethyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)14-9-4-8-13(18-14)16(20)19-11-5-7-12-6-2-3-10-15(12)19/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyWRZDHQIRYVLAMX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds2

About methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate

methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate (PubChem CID 53013904) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate
PubChem CID53013904
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCCc3ccccc32)n1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)14-9-4-8-13(18-14)16(20)19-11-5-7-12-6-2-3-10-15(12)19/h2-4,6,8-10H,5,7,11H2,1H3
InChIKeyWRZDHQIRYVLAMX-UHFFFAOYSA-N
XLogP2.46
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate (CID 53013904) is methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)N2CCCc3ccccc32)n1.
What is the InChIKey of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate?
The InChIKey is WRZDHQIRYVLAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-17(21)14-9-4-8-13(18-14)16(20)19-11-5-7-12-6-2-3-10-15(12)19/h2-4,6,8-10H,5,7,11H2,1H3.
What are the key properties of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate?
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 53013904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).