8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one

C18H17FN2O2 — CID 174202660

IUPAC8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one
SMILESCc1cc(C(C)N)c2oc(-c3ccc(F)cn3)c(C)c(=O)c2c1
InChIInChI=1S/C18H17FN2O2/c1-9-6-13(11(3)20)18-14(7-9)16(22)10(2)17(23-18)15-5-4-12(19)8-21-15/h4-8,11H,20H2,1-3H3
InChIKeyIVAHGDGOMIMTLE-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.63
Rot. Bonds2

About 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one

8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one (PubChem CID 174202660) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one
PubChem CID174202660
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one
SMILESCc1cc(C(C)N)c2oc(-c3ccc(F)cn3)c(C)c(=O)c2c1
InChIInChI=1S/C18H17FN2O2/c1-9-6-13(11(3)20)18-14(7-9)16(22)10(2)17(23-18)15-5-4-12(19)8-21-15/h4-8,11H,20H2,1-3H3
InChIKeyIVAHGDGOMIMTLE-UHFFFAOYSA-N
XLogP3.63
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one?
The IUPAC name of 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one (CID 174202660) is 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one?
The canonical SMILES for 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one is Cc1cc(C(C)N)c2oc(-c3ccc(F)cn3)c(C)c(=O)c2c1.
What is the InChIKey of 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one?
The InChIKey is IVAHGDGOMIMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-9-6-13(11(3)20)18-14(7-9)16(22)10(2)17(23-18)15-5-4-12(19)8-21-15/h4-8,11H,20H2,1-3H3.
What are the key properties of 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one?
8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one has a molecular weight of 312.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one is sourced from PubChem (CID 174202660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).