N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine

C17H16FN3O — CID 134192948

IUPACN-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine
SMILESFCCCOc1ccc(Nc2ccc3cnccc3c2)nc1
InChIInChI=1S/C17H16FN3O/c18-7-1-9-22-16-4-5-17(20-12-16)21-15-3-2-14-11-19-8-6-13(14)10-15/h2-6,8,10-12H,1,7,9H2,(H,20,21)
InChIKeyYEFBCMVJPYWKCI-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.11
Rot. Bonds6

About N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine

N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine (PubChem CID 134192948) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine
PubChem CID134192948
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine
SMILESFCCCOc1ccc(Nc2ccc3cnccc3c2)nc1
InChIInChI=1S/C17H16FN3O/c18-7-1-9-22-16-4-5-17(20-12-16)21-15-3-2-14-11-19-8-6-13(14)10-15/h2-6,8,10-12H,1,7,9H2,(H,20,21)
InChIKeyYEFBCMVJPYWKCI-UHFFFAOYSA-N
XLogP4.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine?
The IUPAC name of N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine (CID 134192948) is N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine.
What is the SMILES notation for N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine?
The canonical SMILES for N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine is FCCCOc1ccc(Nc2ccc3cnccc3c2)nc1.
What is the InChIKey of N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine?
The InChIKey is YEFBCMVJPYWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-7-1-9-22-16-4-5-17(20-12-16)21-15-3-2-14-11-19-8-6-13(14)10-15/h2-6,8,10-12H,1,7,9H2,(H,20,21).
What are the key properties of N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine?
N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine has a molecular weight of 297.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoropropoxy)-2-pyridinyl]isoquinolin-6-amine is sourced from PubChem (CID 134192948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).