3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine

C21H25FN4 — CID 175711134

IUPAC3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine
SMILESCCc1nc(N)ccc1-c1cc2ccc(F)cc2nc1N(CC)C(C)C
InChIInChI=1S/C21H25FN4/c1-5-18-16(9-10-20(23)24-18)17-11-14-7-8-15(22)12-19(14)25-21(17)26(6-2)13(3)4/h7-13H,5-6H2,1-4H3,(H2,23,24)
InChIKeyDPEPBRROEOKGKV-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.82
Rot. Bonds5

About 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine

3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine (PubChem CID 175711134) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine
PubChem CID175711134
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC Name3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine
SMILESCCc1nc(N)ccc1-c1cc2ccc(F)cc2nc1N(CC)C(C)C
InChIInChI=1S/C21H25FN4/c1-5-18-16(9-10-20(23)24-18)17-11-14-7-8-15(22)12-19(14)25-21(17)26(6-2)13(3)4/h7-13H,5-6H2,1-4H3,(H2,23,24)
InChIKeyDPEPBRROEOKGKV-UHFFFAOYSA-N
XLogP4.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine?
The IUPAC name of 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine (CID 175711134) is 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine?
The canonical SMILES for 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine is CCc1nc(N)ccc1-c1cc2ccc(F)cc2nc1N(CC)C(C)C.
What is the InChIKey of 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine?
The InChIKey is DPEPBRROEOKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/c1-5-18-16(9-10-20(23)24-18)17-11-14-7-8-15(22)12-19(14)25-21(17)26(6-2)13(3)4/h7-13H,5-6H2,1-4H3,(H2,23,24).
What are the key properties of 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine?
3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine has a molecular weight of 352.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-ethyl-3-pyridinyl)-N-ethyl-7-fluoro-N-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 175711134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).