4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid

C17H19FN2O2 — CID 120509832

IUPAC4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C17H19FN2O2/c18-14-8-12-2-1-7-19-16(12)13(9-14)10-20-15-5-3-11(4-6-15)17(21)22/h1-2,7-9,11,15,20H,3-6,10H2,(H,21,22)
InChIKeyMSFMYHKELFULIY-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.11
Rot. Bonds4

About 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid

4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120509832) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID120509832
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCc2cc(F)cc3cccnc23)CC1
InChIInChI=1S/C17H19FN2O2/c18-14-8-12-2-1-7-19-16(12)13(9-14)10-20-15-5-3-11(4-6-15)17(21)22/h1-2,7-9,11,15,20H,3-6,10H2,(H,21,22)
InChIKeyMSFMYHKELFULIY-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid (CID 120509832) is 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCc2cc(F)cc3cccnc23)CC1.
What is the InChIKey of 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MSFMYHKELFULIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-8-12-2-1-7-19-16(12)13(9-14)10-20-15-5-3-11(4-6-15)17(21)22/h1-2,7-9,11,15,20H,3-6,10H2,(H,21,22).
What are the key properties of 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid?
4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoroquinolin-8-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120509832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).