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

C17H16N2O3 — CID 31676778

IUPACmethyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCc3ccccc32)nc1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)13-8-9-14(18-11-13)16(20)19-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyFZTSHMPORMRRHV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.46
Rot. Bonds2

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

methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate (PubChem CID 31676778) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
PubChem CID31676778
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCc3ccccc32)nc1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)13-8-9-14(18-11-13)16(20)19-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyFZTSHMPORMRRHV-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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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
methyl 2-[[6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109127494
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192809

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate (CID 31676778) is methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCCc3ccccc32)nc1.
What is the InChIKey of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate?
The InChIKey is FZTSHMPORMRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-17(21)13-8-9-14(18-11-13)16(20)19-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate?
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-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-3-carboxylate is sourced from PubChem (CID 31676778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).