1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C27H23ClN2O4 — CID 23132798

About 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 23132798) has the molecular formula C27H23ClN2O4 and a molecular weight of 474.94 g/mol. Its IUPAC name is 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 23132798
• Molecular Formula: C27H23ClN2O4
• Molecular Weight: 474.94 g/mol
• Exact Mass: 474.13
• IUPAC Name: 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc2ccccc2n1
• InChI: InChI=1S/C27H23ClN2O4/c28-22-15-21(25(31)30-27(26(32)33)13-5-6-14-27)24(20-9-3-2-8-19(20)22)34-16-18-12-11-17-7-1-4-10-23(17)29-18/h1-4,7-12,15H,5-6,13-14,16H2,(H,30,31)(H,32,33)
• InChIKey: WOOUZNGILHNERC-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 88.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.94
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 23132798) is 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c2ccccc2c1OCc1ccc2ccccc2n1.

What is the InChIKey of 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is WOOUZNGILHNERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4/c28-22-15-21(25(31)30-27(26(32)33)13-5-6-14-27)24(20-9-3-2-8-19(20)22)34-16-18-12-11-17-7-1-4-10-23(17)29-18/h1-4,7-12,15H,5-6,13-14,16H2,(H,30,31)(H,32,33).

What are the key properties of 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid?

1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 474.94 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 23132798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).