methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate

C14H19NO2 — CID 86099354

IUPACmethyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
SMILESCCCC1CCc2ccc(C(=O)OC)cc2N1
InChIInChI=1S/C14H19NO2/c1-3-4-12-8-7-10-5-6-11(14(16)17-2)9-13(10)15-12/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChIKeyCALZDRZMYOVHRL-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.00
Rot. Bonds3

About methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate

methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate (PubChem CID 86099354) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
PubChem CID86099354
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
SMILESCCCC1CCc2ccc(C(=O)OC)cc2N1
InChIInChI=1S/C14H19NO2/c1-3-4-12-8-7-10-5-6-11(14(16)17-2)9-13(10)15-12/h5-6,9,12,15H,3-4,7-8H2,1-2H3
InChIKeyCALZDRZMYOVHRL-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-oxo-3-propyl-1,3-dihydroindole-6-carboxylate
CID 86099334
methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 91608162
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 2-sulfanyl-1,2,3,4-tetrahydroquinazoline-7-carboxylate
CID 141413895
methyl 3-[2-(butanoylamino)ethyl]-2,3-dihydro-1H-indene-5-carboxylate
CID 22922688
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
methyl 3-oxo-2-propyl-4H-1,4-benzothiazine-6-carboxylate
CID 23134791
methyl 3-undecyl-2,3-dihydro-1H-indole-6-carboxylate
CID 12799984
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920

Frequently Asked Questions

What is the IUPAC name of methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate?
The IUPAC name of methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate (CID 86099354) is methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate.
What is the SMILES notation for methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate?
The canonical SMILES for methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate is CCCC1CCc2ccc(C(=O)OC)cc2N1.
What is the InChIKey of methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate?
The InChIKey is CALZDRZMYOVHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-12-8-7-10-5-6-11(14(16)17-2)9-13(10)15-12/h5-6,9,12,15H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate?
methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate is sourced from PubChem (CID 86099354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).