2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid

C16H19NO4 — CID 135019848

IUPAC2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1C=Cc2ccccc2N1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-6-12(15(18)19)14-10-9-11-7-4-5-8-13(11)17(14)16(20)21-2/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,18,19)
InChIKeyRKFILNSIYNANKQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.16
Rot. Bonds4

About 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid

2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid (PubChem CID 135019848) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid
PubChem CID135019848
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C1C=Cc2ccccc2N1C(=O)OC
InChIInChI=1S/C16H19NO4/c1-3-6-12(15(18)19)14-10-9-11-7-4-5-8-13(11)17(14)16(20)21-2/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,18,19)
InChIKeyRKFILNSIYNANKQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid?
The IUPAC name of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid (CID 135019848) is 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid is CCCC(C(=O)O)C1C=Cc2ccccc2N1C(=O)OC.
What is the InChIKey of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid?
The InChIKey is RKFILNSIYNANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-6-12(15(18)19)14-10-9-11-7-4-5-8-13(11)17(14)16(20)21-2/h4-5,7-10,12,14H,3,6H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid?
2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-2H-quinolin-2-yl)pentanoic acid is sourced from PubChem (CID 135019848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).