methyl 1,2-dihydroquinoline-6-carboxylate

C11H11NO2 — CID 141126799

IUPACmethyl 1,2-dihydroquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=CCN2
InChIInChI=1S/C11H11NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7,12H,6H2,1H3
InChIKeyUYJUILZRESUMSN-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.91
Rot. Bonds1

About methyl 1,2-dihydroquinoline-6-carboxylate

methyl 1,2-dihydroquinoline-6-carboxylate (PubChem CID 141126799) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 1,2-dihydroquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dihydroquinoline-6-carboxylate
PubChem CID141126799
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 1,2-dihydroquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=CCN2
InChIInChI=1S/C11H11NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7,12H,6H2,1H3
InChIKeyUYJUILZRESUMSN-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,2-dihydro-1,6-naphthyridine-7-carboxylate
CID 141445688
methyl 2H-chromene-7-carboxylate
CID 22313309
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
methyl 1,1-dioxospiro[4,5-dihydro-2H-1λ6,5-benzothiazepine-3,1'-cyclopropane]-7-carboxylate
CID 115098955
methyl 2-methyl-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylate
CID 115096761
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 91608162
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl (3S)-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-5-carboxylate
CID 125474692
methyl 3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098763

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydroquinoline-6-carboxylate?
The IUPAC name of methyl 1,2-dihydroquinoline-6-carboxylate (CID 141126799) is methyl 1,2-dihydroquinoline-6-carboxylate.
What is the SMILES notation for methyl 1,2-dihydroquinoline-6-carboxylate?
The canonical SMILES for methyl 1,2-dihydroquinoline-6-carboxylate is COC(=O)c1ccc2c(c1)C=CCN2.
What is the InChIKey of methyl 1,2-dihydroquinoline-6-carboxylate?
The InChIKey is UYJUILZRESUMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-5,7,12H,6H2,1H3.
What are the key properties of methyl 1,2-dihydroquinoline-6-carboxylate?
methyl 1,2-dihydroquinoline-6-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydroquinoline-6-carboxylate is sourced from PubChem (CID 141126799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).