2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol

C14H13FN2O — CID 178068400

IUPAC2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol
SMILESC#Cc1cc2cc(N)c(C(C)(C)O)nc2cc1F
InChIInChI=1S/C14H13FN2O/c1-4-8-5-9-6-11(16)13(14(2,3)18)17-12(9)7-10(8)15/h1,5-7,18H,16H2,2-3H3
InChIKeyANLCNFFZUURTTK-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.16
Rot. Bonds1

About 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol

2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol (PubChem CID 178068400) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol
PubChem CID178068400
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol
SMILESC#Cc1cc2cc(N)c(C(C)(C)O)nc2cc1F
InChIInChI=1S/C14H13FN2O/c1-4-8-5-9-6-11(16)13(14(2,3)18)17-12(9)7-10(8)15/h1,5-7,18H,16H2,2-3H3
InChIKeyANLCNFFZUURTTK-UHFFFAOYSA-N
XLogP2.16
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol?
The IUPAC name of 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol (CID 178068400) is 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol is C#Cc1cc2cc(N)c(C(C)(C)O)nc2cc1F.
What is the InChIKey of 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol?
The InChIKey is ANLCNFFZUURTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-4-8-5-9-6-11(16)13(14(2,3)18)17-12(9)7-10(8)15/h1,5-7,18H,16H2,2-3H3.
What are the key properties of 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol?
2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol has a molecular weight of 244.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-ethynyl-7-fluoroquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 178068400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).