methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate

C12H13NO3 — CID 141187730

IUPACmethyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate
SMILESCOC(=O)c1cc2c(cc1OC)CC=CN2
InChIInChI=1S/C12H13NO3/c1-15-11-6-8-4-3-5-13-10(8)7-9(11)12(14)16-2/h3,5-7,13H,4H2,1-2H3
InChIKeyGEGHOILVRJEFSI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.96
Rot. Bonds2

About methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate

methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate (PubChem CID 141187730) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate
PubChem CID141187730
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate
SMILESCOC(=O)c1cc2c(cc1OC)CC=CN2
InChIInChI=1S/C12H13NO3/c1-15-11-6-8-4-3-5-13-10(8)7-9(11)12(14)16-2/h3,5-7,13H,4H2,1-2H3
InChIKeyGEGHOILVRJEFSI-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 1,4-dihydroquinoline-6-carboxylate
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methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
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methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
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CID 171840730
CID 171840730
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate?
The IUPAC name of methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate (CID 141187730) is methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate?
The canonical SMILES for methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate is COC(=O)c1cc2c(cc1OC)CC=CN2.
What is the InChIKey of methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate?
The InChIKey is GEGHOILVRJEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-11-6-8-4-3-5-13-10(8)7-9(11)12(14)16-2/h3,5-7,13H,4H2,1-2H3.
What are the key properties of methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate?
methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1,4-dihydroquinoline-7-carboxylate is sourced from PubChem (CID 141187730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).