2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid

C23H23NO3 — CID 22157458

IUPAC2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccccc2OCc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H23NO3/c25-23(26)14-16-9-10-18(13-16)20-6-2-4-8-22(20)27-15-19-12-11-17-5-1-3-7-21(17)24-19/h1-8,11-12,16,18H,9-10,13-15H2,(H,25,26)
InChIKeySTFVRLSMTLIUIG-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.17
Rot. Bonds6

About 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid

2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid (PubChem CID 22157458) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid
PubChem CID22157458
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccccc2OCc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H23NO3/c25-23(26)14-16-9-10-18(13-16)20-6-2-4-8-22(20)27-15-19-12-11-17-5-1-3-7-21(17)24-19/h1-8,11-12,16,18H,9-10,13-15H2,(H,25,26)
InChIKeySTFVRLSMTLIUIG-UHFFFAOYSA-N
XLogP5.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
2-[3-cyclohexyl-4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 67739403
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
(3E)-3-[5-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]propanoic acid
CID 139922083
N-(1-benzylpiperidin-4-yl)-2-(quinolin-2-ylmethoxy)benzamide
CID 19762442
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 86964994
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid (CID 22157458) is 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid is O=C(O)CC1CCC(c2ccccc2OCc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid?
The InChIKey is STFVRLSMTLIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-23(26)14-16-9-10-18(13-16)20-6-2-4-8-22(20)27-15-19-12-11-17-5-1-3-7-21(17)24-19/h1-8,11-12,16,18H,9-10,13-15H2,(H,25,26).
What are the key properties of 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid?
2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid has a molecular weight of 361.44 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetic acid is sourced from PubChem (CID 22157458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).