2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine

C13H12FN5 — CID 84636488

IUPAC2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine
SMILESNCCc1nc(N)c2cc3cccc(F)c3nc2n1
InChIInChI=1S/C13H12FN5/c14-9-3-1-2-7-6-8-12(16)17-10(4-5-15)18-13(8)19-11(7)9/h1-3,6H,4-5,15H2,(H2,16,17,18,19)
InChIKeyAVOBDJCZBHFOFX-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.40
Rot. Bonds2

About 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine

2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine (PubChem CID 84636488) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine
PubChem CID84636488
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine
SMILESNCCc1nc(N)c2cc3cccc(F)c3nc2n1
InChIInChI=1S/C13H12FN5/c14-9-3-1-2-7-6-8-12(16)17-10(4-5-15)18-13(8)19-11(7)9/h1-3,6H,4-5,15H2,(H2,16,17,18,19)
InChIKeyAVOBDJCZBHFOFX-UHFFFAOYSA-N
XLogP1.40
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethyl)-7-ethylpyrimido[4,5-b]quinolin-4-amine
CID 84640458
9-ethyl-2-propan-2-ylpyrimido[4,5-b]quinolin-4-amine
CID 84640203
2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine
CID 130408040
2-(9-methoxypyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84635194
2-(2-aminoethyl)-7-methoxyquinazolin-4-amine
CID 105472508
2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336170
8-fluoro-3-(2-methylsulfinylphenyl)quinolin-2-amine
CID 59634666
2-(aminomethyl)-7-methoxy-9-methylpyrimido[4,5-b]quinolin-4-amine
CID 84641253
methyl 2-amino-8-fluoroquinoline-3-carboxylate
CID 135392236
2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
CID 82243092
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 136866367

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine (CID 84636488) is 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine is NCCc1nc(N)c2cc3cccc(F)c3nc2n1.
What is the InChIKey of 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine?
The InChIKey is AVOBDJCZBHFOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c14-9-3-1-2-7-6-8-12(16)17-10(4-5-15)18-13(8)19-11(7)9/h1-3,6H,4-5,15H2,(H2,16,17,18,19).
What are the key properties of 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine?
2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine has a molecular weight of 257.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-9-fluoropyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84636488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).