N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine

C19H15FN8 — CID 141225548

IUPACN-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
SMILESCn1cncc1-c1nc2c(F)cccc2cc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C19H15FN8/c1-28-10-21-7-14(28)16-12(5-11-3-2-4-13(20)15(11)27-16)6-22-18-17-19(24-8-23-17)26-9-25-18/h2-5,7-10H,6H2,1H3,(H2,22,23,24,25,26)
InChIKeyBZZYZPXINWJQJG-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.05
Rot. Bonds4

About N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine

N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine (PubChem CID 141225548) has the molecular formula C19H15FN8 and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
PubChem CID141225548
Molecular FormulaC19H15FN8
Molecular Weight374.38 g/mol
Exact Mass374.14
IUPAC NameN-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
SMILESCn1cncc1-c1nc2c(F)cccc2cc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C19H15FN8/c1-28-10-21-7-14(28)16-12(5-11-3-2-4-13(20)15(11)27-16)6-22-18-17-19(24-8-23-17)26-9-25-18/h2-5,7-10H,6H2,1H3,(H2,22,23,24,25,26)
InChIKeyBZZYZPXINWJQJG-UHFFFAOYSA-N
XLogP3.05
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine 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 N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine (CID 141225548) is N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine is Cn1cncc1-c1nc2c(F)cccc2cc1CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine?
The InChIKey is BZZYZPXINWJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN8/c1-28-10-21-7-14(28)16-12(5-11-3-2-4-13(20)15(11)27-16)6-22-18-17-19(24-8-23-17)26-9-25-18/h2-5,7-10H,6H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine?
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine has a molecular weight of 374.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 141225548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).