4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid

C16H17ClN2O2 — CID 122059980

IUPAC4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc3ccc(Cl)cc3n2)CC1
InChIInChI=1S/C16H17ClN2O2/c17-12-5-1-10-4-8-15(19-14(10)9-12)18-13-6-2-11(3-7-13)16(20)21/h1,4-5,8-9,11,13H,2-3,6-7H2,(H,18,19)(H,20,21)
InChIKeyTYCCHOKBJWLNOS-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.94
Rot. Bonds3

About 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid

4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122059980) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122059980
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2ccc3ccc(Cl)cc3n2)CC1
InChIInChI=1S/C16H17ClN2O2/c17-12-5-1-10-4-8-15(19-14(10)9-12)18-13-6-2-11(3-7-13)16(20)21/h1,4-5,8-9,11,13H,2-3,6-7H2,(H,18,19)(H,20,21)
InChIKeyTYCCHOKBJWLNOS-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 122059980) is 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2ccc3ccc(Cl)cc3n2)CC1.
What is the InChIKey of 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is TYCCHOKBJWLNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-12-5-1-10-4-8-15(19-14(10)9-12)18-13-6-2-11(3-7-13)16(20)21/h1,4-5,8-9,11,13H,2-3,6-7H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid?
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 304.78 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122059980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).