methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate

C15H13NO3 — CID 162402314

IUPACmethyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate
SMILESCOC(=O)c1c(O)cnc2c1CCc1ccccc1-2
InChIInChI=1S/C15H13NO3/c1-19-15(18)13-11-7-6-9-4-2-3-5-10(9)14(11)16-8-12(13)17/h2-5,8,17H,6-7H2,1H3
InChIKeyRFWUJCCFMWHYOK-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.34
Rot. Bonds1

About methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate

methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate (PubChem CID 162402314) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate
PubChem CID162402314
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate
SMILESCOC(=O)c1c(O)cnc2c1CCc1ccccc1-2
InChIInChI=1S/C15H13NO3/c1-19-15(18)13-11-7-6-9-4-2-3-5-10(9)14(11)16-8-12(13)17/h2-5,8,17H,6-7H2,1H3
InChIKeyRFWUJCCFMWHYOK-UHFFFAOYSA-N
XLogP2.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-2-carboxylate
CID 136854413
methyl 11,12-dihydrobenzo[c][1]benzazocine-6-carboxylate
CID 11448478
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 2-[(2-chloroacetyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 91691049
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
CID 154810461
3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
CID 10847727
methyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 12948316
methyl 2-[(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23858349
3-methyl-5,6-dihydrobenzo[h]quinoline
CID 59294831
N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
ethyl 13-amino-11-(furan-2-yl)-15-thia-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
CID 1049198
9H-fluorene;methyl 1H-pyrazole-4-carboxylate
CID 157291728

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate?
The IUPAC name of methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate (CID 162402314) is methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate?
The canonical SMILES for methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate is COC(=O)c1c(O)cnc2c1CCc1ccccc1-2.
What is the InChIKey of methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate?
The InChIKey is RFWUJCCFMWHYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)13-11-7-6-9-4-2-3-5-10(9)14(11)16-8-12(13)17/h2-5,8,17H,6-7H2,1H3.
What are the key properties of methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate?
methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5,6-dihydrobenzo[h]quinoline-4-carboxylate is sourced from PubChem (CID 162402314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).