pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate

C15H21NO2 — CID 102982650

IUPACpentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILESCCCC(C)OC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H21NO2/c1-3-5-11(2)18-15(17)13-7-8-14-12(10-13)6-4-9-16-14/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyLPQOCMVCRYMGMV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.39
Rot. Bonds4

About pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate

pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate (PubChem CID 102982650) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate.

Molecular Properties

Compound Namepentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
PubChem CID102982650
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namepentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILESCCCC(C)OC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H21NO2/c1-3-5-11(2)18-15(17)13-7-8-14-12(10-13)6-4-9-16-14/h7-8,10-11,16H,3-6,9H2,1-2H3
InChIKeyLPQOCMVCRYMGMV-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43265846
2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256335
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106116805
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
1-(1,2,3,4-tetrahydroquinolin-6-yl)heptan-1-one
CID 116554411
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
The IUPAC name of pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate (CID 102982650) is pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate.
What is the SMILES notation for pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
The canonical SMILES for pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate is CCCC(C)OC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
The InChIKey is LPQOCMVCRYMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-5-11(2)18-15(17)13-7-8-14-12(10-13)6-4-9-16-14/h7-8,10-11,16H,3-6,9H2,1-2H3.
What are the key properties of pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate?
pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 1,2,3,4-tetrahydroquinoline-6-carboxylate is sourced from PubChem (CID 102982650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).