N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine

C22H16F2N6 — CID 67511145

IUPACN-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1cccc(F)c1
InChIInChI=1S/C22H16F2N6/c1-12(30-22-20-21(27-10-26-20)28-11-29-22)17-9-25-18-6-5-15(24)8-16(18)19(17)13-3-2-4-14(23)7-13/h2-12H,1H3,(H2,26,27,28,29,30)
InChIKeyCUXTVROZAVEPSP-UHFFFAOYSA-N
MW402.41 g/mol
LogP5.02
Rot. Bonds4

About N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine

N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 67511145) has the molecular formula C22H16F2N6 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID67511145
Molecular FormulaC22H16F2N6
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1cccc(F)c1
InChIInChI=1S/C22H16F2N6/c1-12(30-22-20-21(27-10-26-20)28-11-29-22)17-9-25-18-6-5-15(24)8-16(18)19(17)13-3-2-4-14(23)7-13/h2-12H,1H3,(H2,26,27,28,29,30)
InChIKeyCUXTVROZAVEPSP-UHFFFAOYSA-N
XLogP5.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 67511498
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-[1-[3-(3-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 53303512
4-amino-6-[[(1S)-1-[4-(3-cyanophenyl)-6-fluoroquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 68910830
6-(3-fluorophenyl)-7-[1-(7H-purin-6-ylamino)ethyl]-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66863154
N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 56599717
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
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
N-[1-[2-(3-chloro-5-fluorophenyl)-8-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 76599383

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine (CID 67511145) is N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1cnc2ccc(F)cc2c1-c1cccc(F)c1.
What is the InChIKey of N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is CUXTVROZAVEPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6/c1-12(30-22-20-21(27-10-26-20)28-11-29-22)17-9-25-18-6-5-15(24)8-16(18)19(17)13-3-2-4-14(23)7-13/h2-12H,1H3,(H2,26,27,28,29,30).
What are the key properties of N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine?
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 402.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 67511145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).