N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine

C19H19FN6O — CID 66632442

IUPACN-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESCCOCc1nc2cc(F)ccc2cc1C(C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C19H19FN6O/c1-3-27-8-16-14(6-12-4-5-13(20)7-15(12)26-16)11(2)25-19-17-18(22-9-21-17)23-10-24-19/h4-7,9-11H,3,8H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyFRZQXOLWWOIJDG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.75
Rot. Bonds6

About N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine

N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine (PubChem CID 66632442) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
PubChem CID66632442
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
SMILESCCOCc1nc2cc(F)ccc2cc1C(C)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C19H19FN6O/c1-3-27-8-16-14(6-12-4-5-13(20)7-15(12)26-16)11(2)25-19-17-18(22-9-21-17)23-10-24-19/h4-7,9-11H,3,8H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyFRZQXOLWWOIJDG-UHFFFAOYSA-N
XLogP3.75
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-butyl-7-fluoroquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 56599717
N-[(1S)-1-[7-fluoro-2-(2-methylbutyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632120
N-[(1S)-1-[2-[[ethyl(methyl)amino]methyl]-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632635
N-[1-[7-fluoro-2-(5,5,5-trifluoropentyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 66632769
N-[2-(7-fluoro-2-hexylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 66632887
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-(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
7-fluoro-N-(3-methoxypropyl)-8-methyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinolin-2-amine
CID 46870413
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-7H-purin-6-amine
CID 94145841
3-(3,5-difluorophenyl)-6-fluoro-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118044120
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine (CID 66632442) is N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine is CCOCc1nc2cc(F)ccc2cc1C(C)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine?
The InChIKey is FRZQXOLWWOIJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-3-27-8-16-14(6-12-4-5-13(20)7-15(12)26-16)11(2)25-19-17-18(22-9-21-17)23-10-24-19/h4-7,9-11H,3,8H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine?
N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine has a molecular weight of 366.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethoxymethyl)-7-fluoroquinolin-3-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 66632442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).