N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine

C22H18FN7 — CID 71550309

IUPACN-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1cccc2nc(C(C)Nc3ncnc4nc[nH]c34)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H18FN7/c1-12-4-3-5-16-17(12)30-19(14-6-8-15(23)9-7-14)18(29-16)13(2)28-22-20-21(25-10-24-20)26-11-27-22/h3-11,13H,1-2H3,(H2,24,25,26,27,28)
InChIKeyFSIORUJUSKOXLS-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.58
Rot. Bonds4

About N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine

N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 71550309) has the molecular formula C22H18FN7 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID71550309
Molecular FormulaC22H18FN7
Molecular Weight399.43 g/mol
Exact Mass399.16
IUPAC NameN-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
SMILESCc1cccc2nc(C(C)Nc3ncnc4nc[nH]c34)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H18FN7/c1-12-4-3-5-16-17(12)30-19(14-6-8-15(23)9-7-14)18(29-16)13(2)28-22-20-21(25-10-24-20)26-11-27-22/h3-11,13H,1-2H3,(H2,24,25,26,27,28)
InChIKeyFSIORUJUSKOXLS-UHFFFAOYSA-N
XLogP4.58
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[5-chloro-3-(3-methylphenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
CID 121486483
N-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 53303512
N-[1-[2-(3-chloro-5-fluorophenyl)-8-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76599383
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 76599339
3-(2,4-difluorophenyl)-5-fluoro-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043712
3-(2,4-difluorophenyl)-5-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044232
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
5-fluoro-3-(3-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043702
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
2-(3-fluorophenyl)-8-methyl-3-[1-(7H-purin-6-ylamino)ethyl]-1H-isoquinolin-1-ol
CID 149417597

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine (CID 71550309) is N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine is Cc1cccc2nc(C(C)Nc3ncnc4nc[nH]c34)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is FSIORUJUSKOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7/c1-12-4-3-5-16-17(12)30-19(14-6-8-15(23)9-7-14)18(29-16)13(2)28-22-20-21(25-10-24-20)26-11-27-22/h3-11,13H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine?
N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 399.43 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 71550309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).