2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid

C22H20N2O3 — CID 135338949

IUPAC2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2ccc3ccccc3n2)Cc2ccccc2C1
InChIInChI=1S/C22H20N2O3/c25-20(26)13-22(11-16-6-1-2-7-17(16)12-22)21(27)23-14-18-10-9-15-5-3-4-8-19(15)24-18/h1-10H,11-14H2,(H,23,27)(H,25,26)
InChIKeyHASRTHJIXLAQAS-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid

2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 135338949) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
PubChem CID135338949
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2ccc3ccccc3n2)Cc2ccccc2C1
InChIInChI=1S/C22H20N2O3/c25-20(26)13-22(11-16-6-1-2-7-17(16)12-22)21(27)23-14-18-10-9-15-5-3-4-8-19(15)24-18/h1-10H,11-14H2,(H,23,27)(H,25,26)
InChIKeyHASRTHJIXLAQAS-UHFFFAOYSA-N
XLogP3.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid (CID 135338949) is 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid is O=C(O)CC1(C(=O)NCc2ccc3ccccc3n2)Cc2ccccc2C1.
What is the InChIKey of 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is HASRTHJIXLAQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-20(26)13-22(11-16-6-1-2-7-17(16)12-22)21(27)23-14-18-10-9-15-5-3-4-8-19(15)24-18/h1-10H,11-14H2,(H,23,27)(H,25,26).
What are the key properties of 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(quinolin-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 135338949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).