methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate

C19H20N2O3S — CID 143644974

IUPACmethyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate
SMILESC=C(CSc1ncc(C(=O)OC)cc1O)N1CCCc2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-13(21-9-5-7-14-6-3-4-8-16(14)21)12-25-18-17(22)10-15(11-20-18)19(23)24-2/h3-4,6,8,10-11,22H,1,5,7,9,12H2,2H3
InChIKeyDOVBLVNBUNSRLE-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.63
Rot. Bonds5

About methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate

methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate (PubChem CID 143644974) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate
PubChem CID143644974
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Namemethyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate
SMILESC=C(CSc1ncc(C(=O)OC)cc1O)N1CCCc2ccccc21
InChIInChI=1S/C19H20N2O3S/c1-13(21-9-5-7-14-6-3-4-8-16(14)21)12-25-18-17(22)10-15(11-20-18)19(23)24-2/h3-4,6,8,10-11,22H,1,5,7,9,12H2,2H3
InChIKeyDOVBLVNBUNSRLE-UHFFFAOYSA-N
XLogP3.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
1-(3,4-dihydro-2H-quinolin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707962
methyl 4-[[2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 55347711
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanone
CID 109157070
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
CID 102545818

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate (CID 143644974) is methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate is C=C(CSc1ncc(C(=O)OC)cc1O)N1CCCc2ccccc21.
What is the InChIKey of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate?
The InChIKey is DOVBLVNBUNSRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13(21-9-5-7-14-6-3-4-8-16(14)21)12-25-18-17(22)10-15(11-20-18)19(23)24-2/h3-4,6,8,10-11,22H,1,5,7,9,12H2,2H3.
What are the key properties of methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate?
methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enylsulfanyl]-5-hydroxypyridine-3-carboxylate is sourced from PubChem (CID 143644974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).