N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine

C23H22FN7O — CID 163427916

IUPACN-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine
SMILESCC[C@H](Nc1ncnc2nc[nH]c12)C1=Nc2cccc(F)c2C(OC)N1c1ccccc1
InChIInChI=1S/C23H22FN7O/c1-3-16(29-21-19-20(26-12-25-19)27-13-28-21)22-30-17-11-7-10-15(24)18(17)23(32-2)31(22)14-8-5-4-6-9-14/h4-13,16,23H,3H2,1-2H3,(H2,25,26,27,28,29)/t16-,23?/m0/s1
InChIKeyAOCKUUJDJALYCB-GZWBLTSWSA-N
MW431.48 g/mol
LogP4.58
Rot. Bonds6

About N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine

N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine (PubChem CID 163427916) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine
PubChem CID163427916
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC NameN-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine
SMILESCC[C@H](Nc1ncnc2nc[nH]c12)C1=Nc2cccc(F)c2C(OC)N1c1ccccc1
InChIInChI=1S/C23H22FN7O/c1-3-16(29-21-19-20(26-12-25-19)27-13-28-21)22-30-17-11-7-10-15(24)18(17)23(32-2)31(22)14-8-5-4-6-9-14/h4-13,16,23H,3H2,1-2H3,(H2,25,26,27,28,29)/t16-,23?/m0/s1
InChIKeyAOCKUUJDJALYCB-GZWBLTSWSA-N
XLogP4.58
TPSA91.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-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-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine (CID 163427916) is N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine is CC[C@H](Nc1ncnc2nc[nH]c12)C1=Nc2cccc(F)c2C(OC)N1c1ccccc1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine?
The InChIKey is AOCKUUJDJALYCB-GZWBLTSWSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-3-16(29-21-19-20(26-12-25-19)27-13-28-21)22-30-17-11-7-10-15(24)18(17)23(32-2)31(22)14-8-5-4-6-9-14/h4-13,16,23H,3H2,1-2H3,(H2,25,26,27,28,29)/t16-,23?/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine?
N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine has a molecular weight of 431.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-4-methoxy-3-phenyl-4H-quinazolin-2-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 163427916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).