5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride

C19H26ClNO3 — CID 140665091

IUPAC5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)ccc2c1NC(C1CCCC1)C1CCCOC21.Cl
InChIInChI=1S/C19H25NO3.ClH/c1-11-13(19(21)22)8-9-15-16(11)20-17(12-5-2-3-6-12)14-7-4-10-23-18(14)15;/h8-9,12,14,17-18,20H,2-7,10H2,1H3,(H,21,22);1H
InChIKeyJFSBJSONNKEYEF-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.57
Rot. Bonds2

About 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride

5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride (PubChem CID 140665091) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride
PubChem CID140665091
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride
SMILESCc1c(C(=O)O)ccc2c1NC(C1CCCC1)C1CCCOC21.Cl
InChIInChI=1S/C19H25NO3.ClH/c1-11-13(19(21)22)8-9-15-16(11)20-17(12-5-2-3-6-12)14-7-4-10-23-18(14)15;/h8-9,12,14,17-18,20H,2-7,10H2,1H3,(H,21,22);1H
InChIKeyJFSBJSONNKEYEF-UHFFFAOYSA-N
XLogP4.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride?
The IUPAC name of 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride (CID 140665091) is 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride?
The canonical SMILES for 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride is Cc1c(C(=O)O)ccc2c1NC(C1CCCC1)C1CCCOC21.Cl.
What is the InChIKey of 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride?
The InChIKey is JFSBJSONNKEYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3.ClH/c1-11-13(19(21)22)8-9-15-16(11)20-17(12-5-2-3-6-12)14-7-4-10-23-18(14)15;/h8-9,12,14,17-18,20H,2-7,10H2,1H3,(H,21,22);1H.
What are the key properties of 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride?
5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride has a molecular weight of 351.87 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-7-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 140665091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).