N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

C21H16FN7 — CID 76599339

IUPACN-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc2cccc(F)c2nc1-c1cccnc1
InChIInChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-4-2-6-16(22)18(13)29-17(15)14-5-3-7-23-9-14/h2-12H,1H3,(H2,24,25,26,27,28)
InChIKeyGXHIZPYULQTTKF-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine

N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 76599339) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
PubChem CID76599339
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC NameN-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cc2cccc(F)c2nc1-c1cccnc1
InChIInChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-4-2-6-16(22)18(13)29-17(15)14-5-3-7-23-9-14/h2-12H,1H3,(H2,24,25,26,27,28)
InChIKeyGXHIZPYULQTTKF-UHFFFAOYSA-N
XLogP4.28
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3-chloro-5-fluorophenyl)-8-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76599383
N-[(1S)-1-(2,8-dipyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 68944487
N-[(1S)-1-(8-methyl-2-pyridin-3-ylquinolin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 89431847
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 141225548
8-chloro-N-cyclopropyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 66821892
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;dihydrochloride
CID 141225547
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 71550309
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
N-[1-[8-(2-fluorophenyl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87347013
2-[[8-chloro-3-[1-(7H-purin-6-ylamino)ethyl]quinolin-2-yl]amino]acetic acid
CID 66821996
8-chloro-2-(2-fluoro-3-pyridinyl)-3-[1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one
CID 118044016

Frequently Asked Questions

What is the IUPAC name of N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine (CID 76599339) is N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cc2cccc(F)c2nc1-c1cccnc1.
What is the InChIKey of N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is GXHIZPYULQTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7/c1-12(28-21-19-20(25-10-24-19)26-11-27-21)15-8-13-4-2-6-16(22)18(13)29-17(15)14-5-3-7-23-9-14/h2-12H,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine?
N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 385.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 76599339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).