2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid

C20H18ClNO4 — CID 58076308

IUPAC2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(-c2ccc(CC(=O)C3=C(C(=O)O)CCC3)cc2Cl)cn1
InChIInChI=1S/C20H18ClNO4/c1-26-19-8-6-13(11-22-19)14-7-5-12(9-17(14)21)10-18(23)15-3-2-4-16(15)20(24)25/h5-9,11H,2-4,10H2,1H3,(H,24,25)
InChIKeyCAYJBIPTAPRYTM-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.09
Rot. Bonds6

About 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid

2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid (PubChem CID 58076308) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid
PubChem CID58076308
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(-c2ccc(CC(=O)C3=C(C(=O)O)CCC3)cc2Cl)cn1
InChIInChI=1S/C20H18ClNO4/c1-26-19-8-6-13(11-22-19)14-7-5-12(9-17(14)21)10-18(23)15-3-2-4-16(15)20(24)25/h5-9,11H,2-4,10H2,1H3,(H,24,25)
InChIKeyCAYJBIPTAPRYTM-UHFFFAOYSA-N
XLogP4.09
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid (CID 58076308) is 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid is COc1ccc(-c2ccc(CC(=O)C3=C(C(=O)O)CCC3)cc2Cl)cn1.
What is the InChIKey of 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid?
The InChIKey is CAYJBIPTAPRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-26-19-8-6-13(11-22-19)14-7-5-12(9-17(14)21)10-18(23)15-3-2-4-16(15)20(24)25/h5-9,11H,2-4,10H2,1H3,(H,24,25).
What are the key properties of 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid?
2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid has a molecular weight of 371.82 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-chloro-4-(6-methoxy-3-pyridinyl)phenyl]acetyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 58076308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).