methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate

C17H18N2O2 — CID 102545818

IUPACmethyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N2CCCc3ccccc32)cc1C
InChIInChI=1S/C17H18N2O2/c1-12-10-16(18-11-14(12)17(20)21-2)19-9-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,10-11H,5,7,9H2,1-2H3
InChIKeyJMNUUOJRTYRUSX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.26
Rot. Bonds2

About methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate

methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate (PubChem CID 102545818) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
PubChem CID102545818
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namemethyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N2CCCc3ccccc32)cc1C
InChIInChI=1S/C17H18N2O2/c1-12-10-16(18-11-14(12)17(20)21-2)19-9-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,10-11H,5,7,9H2,1-2H3
InChIKeyJMNUUOJRTYRUSX-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate with MolForge

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Related Compounds

[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
CID 102545819
1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 102545834
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 102545827
6-(3,4-dihydro-2H-quinolin-1-yl)-N-methylpyridine-3-carboxamide
CID 84570471
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155759
methyl 3-amino-2-(3,4-dihydro-2H-quinolin-1-yl)benzoate
CID 115934046
(R)-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]-phenylmethanamine
CID 124502163
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84570395
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
(NZ)-N-[[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methylidene]hydroxylamine
CID 124502165
1-[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545847
1-(5-ethenyl-4-methyl-2-pyridinyl)-2,3-dihydroindole
CID 102545853

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate (CID 102545818) is methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate is COC(=O)c1cnc(N2CCCc3ccccc32)cc1C.
What is the InChIKey of methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate?
The InChIKey is JMNUUOJRTYRUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-10-16(18-11-14(12)17(20)21-2)19-9-5-7-13-6-3-4-8-15(13)19/h3-4,6,8,10-11H,5,7,9H2,1-2H3.
What are the key properties of methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate?
methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.26, 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-quinolin-1-yl)-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 102545818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).