5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid

C14H15ClN2O2 — CID 121433306

IUPAC5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1
InChIInChI=1S/C14H15ClN2O2/c15-9-5-8-6-12(14(18)19)17-13(8)11(7-9)16-10-3-1-2-4-10/h5-7,10,16-17H,1-4H2,(H,18,19)
InChIKeyMMAGYGYHGUQCLV-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid

5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid (PubChem CID 121433306) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid
PubChem CID121433306
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1
InChIInChI=1S/C14H15ClN2O2/c15-9-5-8-6-12(14(18)19)17-13(8)11(7-9)16-10-3-1-2-4-10/h5-7,10,16-17H,1-4H2,(H,18,19)
InChIKeyMMAGYGYHGUQCLV-UHFFFAOYSA-N
XLogP3.87
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid (CID 121433306) is 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1.
What is the InChIKey of 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid?
The InChIKey is MMAGYGYHGUQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-9-5-8-6-12(14(18)19)17-13(8)11(7-9)16-10-3-1-2-4-10/h5-7,10,16-17H,1-4H2,(H,18,19).
What are the key properties of 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid?
5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid has a molecular weight of 278.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 121433306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).