8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine

C12H9FN4 — CID 84625401

IUPAC8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine
SMILESCc1nc(N)c2cc3ccc(F)cc3nc2n1
InChIInChI=1S/C12H9FN4/c1-6-15-11(14)9-4-7-2-3-8(13)5-10(7)17-12(9)16-6/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyUOZIAUFWMCGCHA-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.21
Rot. Bonds

About 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine

8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine (PubChem CID 84625401) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine
PubChem CID84625401
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine
SMILESCc1nc(N)c2cc3ccc(F)cc3nc2n1
InChIInChI=1S/C12H9FN4/c1-6-15-11(14)9-4-7-2-3-8(13)5-10(7)17-12(9)16-6/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyUOZIAUFWMCGCHA-UHFFFAOYSA-N
XLogP2.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-methylquinazolin-4-amine
CID 105436760
6-fluoro-3-methylisoquinolin-1-amine
CID 115014668
7-fluoro-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine
CID 64983595
7-fluoro-4-methylquinolin-2-amine
CID 84618364
1-(7-fluoro-2-methylquinazolin-4-yl)ethanamine
CID 105457285
2,7-dimethylquinazolin-4-amine
CID 59095817
6,7-dichloro-2-methylquinazolin-4-amine
CID 122198309
7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
CID 64983694
2-(2,5-dimethylphenyl)-7-fluoroquinazolin-4-amine
CID 64983880
6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 113324920
1-(7-fluoroquinolin-2-yl)propan-2-amine
CID 82241374
3-chloro-7-fluoro-2-methylquinolin-4-amine
CID 121236696

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine (CID 84625401) is 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine is Cc1nc(N)c2cc3ccc(F)cc3nc2n1.
What is the InChIKey of 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine?
The InChIKey is UOZIAUFWMCGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c1-6-15-11(14)9-4-7-2-3-8(13)5-10(7)17-12(9)16-6/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine?
8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine has a molecular weight of 228.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methylpyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 84625401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).