N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine

C44H34F2N12 — CID 158562573

IUPACN-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@@H](Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccc1.C[C@H](Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/2C22H17FN6/c2*1-13(29-22-20-21(26-11-25-20)27-12-28-22)17-10-24-18-8-7-15(23)9-16(18)19(17)14-5-3-2-4-6-14/h2*2-13H,1H3,(H2,25,26,27,28,29)/t2*13-/m10/s1
InChIKeyHRBKCMUBYHJECG-JACLSRQLSA-N
MW768.84 g/mol
LogP9.76
Rot. Bonds8

About N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine

N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 158562573) has the molecular formula C44H34F2N12 and a molecular weight of 768.84 g/mol. Its IUPAC name is N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID158562573
Molecular FormulaC44H34F2N12
Molecular Weight768.84 g/mol
Exact Mass768.30
IUPAC NameN-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@@H](Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccc1.C[C@H](Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/2C22H17FN6/c2*1-13(29-22-20-21(26-11-25-20)27-12-28-22)17-10-24-18-8-7-15(23)9-16(18)19(17)14-5-3-2-4-6-14/h2*2-13H,1H3,(H2,25,26,27,28,29)/t2*13-/m10/s1
InChIKeyHRBKCMUBYHJECG-JACLSRQLSA-N
XLogP9.76
TPSA158.76 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.84
LogP ≤ 59.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
N-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 67511498
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
4-N-[(1S)-1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-6-methylpyrimidine-4,5-diamine
CID 68911484
6-fluoro-3-(3-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]chromen-4-one
CID 53235314
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 56599717
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
N-[(1S)-1-[7-fluoro-2-(2-methylbutyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632120
N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632442
3-(4-chlorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044334
3-(3,4-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044127

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 158562573) is N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine is C[C@@H](Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccc1.C[C@H](Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is HRBKCMUBYHJECG-JACLSRQLSA-N. The full InChI is InChI=1S/2C22H17FN6/c2*1-13(29-22-20-21(26-11-25-20)27-12-28-22)17-10-24-18-8-7-15(23)9-16(18)19(17)14-5-3-2-4-6-14/h2*2-13H,1H3,(H2,25,26,27,28,29)/t2*13-/m10/s1.
What are the key properties of N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine?
N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 768.84 g/mol, XLogP of 9.76, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine;N-[(1S)-1-(6-fluoro-4-phenylquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 158562573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).