2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid

C20H21N3O5 — CID 176691703

IUPAC2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(C(=O)NC3(C(=O)N4CCCC4)CC3)ccnc2c1
InChIInChI=1S/C20H21N3O5/c24-17(25)12-28-13-3-4-14-15(5-8-21-16(14)11-13)18(26)22-20(6-7-20)19(27)23-9-1-2-10-23/h3-5,8,11H,1-2,6-7,9-10,12H2,(H,22,26)(H,24,25)
InChIKeyFZLIQUVCIOAROU-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.58
Rot. Bonds6

About 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid

2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid (PubChem CID 176691703) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid
PubChem CID176691703
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(C(=O)NC3(C(=O)N4CCCC4)CC3)ccnc2c1
InChIInChI=1S/C20H21N3O5/c24-17(25)12-28-13-3-4-14-15(5-8-21-16(14)11-13)18(26)22-20(6-7-20)19(27)23-9-1-2-10-23/h3-5,8,11H,1-2,6-7,9-10,12H2,(H,22,26)(H,24,25)
InChIKeyFZLIQUVCIOAROU-UHFFFAOYSA-N
XLogP1.58
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid?
The IUPAC name of 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid (CID 176691703) is 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid is O=C(O)COc1ccc2c(C(=O)NC3(C(=O)N4CCCC4)CC3)ccnc2c1.
What is the InChIKey of 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid?
The InChIKey is FZLIQUVCIOAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-17(25)12-28-13-3-4-14-15(5-8-21-16(14)11-13)18(26)22-20(6-7-20)19(27)23-9-1-2-10-23/h3-5,8,11H,1-2,6-7,9-10,12H2,(H,22,26)(H,24,25).
What are the key properties of 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid?
2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid has a molecular weight of 383.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid is sourced from PubChem (CID 176691703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).