7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine

C18H15BrFN3 — CID 123386859

IUPAC7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine
SMILESFc1cccnc1C1(Nc2cc3ccc(Br)cc3cn2)CCC1
InChIInChI=1S/C18H15BrFN3/c19-14-5-4-12-10-16(22-11-13(12)9-14)23-18(6-2-7-18)17-15(20)3-1-8-21-17/h1,3-5,8-11H,2,6-7H2,(H,22,23)
InChIKeyRVMGNOBBOVVLHU-UHFFFAOYSA-N
MW372.24 g/mol
LogP5.02
Rot. Bonds3

About 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine

7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine (PubChem CID 123386859) has the molecular formula C18H15BrFN3 and a molecular weight of 372.24 g/mol. Its IUPAC name is 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine.

Molecular Properties

Compound Name7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine
PubChem CID123386859
Molecular FormulaC18H15BrFN3
Molecular Weight372.24 g/mol
Exact Mass371.04
IUPAC Name7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine
SMILESFc1cccnc1C1(Nc2cc3ccc(Br)cc3cn2)CCC1
InChIInChI=1S/C18H15BrFN3/c19-14-5-4-12-10-16(22-11-13(12)9-14)23-18(6-2-7-18)17-15(20)3-1-8-21-17/h1,3-5,8-11H,2,6-7H2,(H,22,23)
InChIKeyRVMGNOBBOVVLHU-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.24
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isoquinoline, 1-amino-3-(2-pyridyl)-
CID 217000
4-N-[(3-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328082
Tnik-IN-6
CID 146027031
N-(3-bromophenyl)isoquinolin-1-amine
CID 4321095
4-N-[(4-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328083
N'-[7-(4-bromophenyl)-1,6-naphthyridin-5-yl]propane-1,3-diamine
CID 10193693
7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
CID 46879685
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]isoquinoline
CID 91663461
1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine
CID 25113038
N-(7-Bromo-isoquinolin-1-yl)-guanidine
CID 44339277
N'-(3-pyridin-4-ylisoquinolin-1-yl)ethane-1,2-diamine
CID 71461845
2-(5-Bromo-2-fluorophenyl)-4-(phenylamino)pteridine
CID 44432060

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine?
The IUPAC name of 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine (CID 123386859) is 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine.
What is the SMILES notation for 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine?
The canonical SMILES for 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine is Fc1cccnc1C1(Nc2cc3ccc(Br)cc3cn2)CCC1.
What is the InChIKey of 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine?
The InChIKey is RVMGNOBBOVVLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3/c19-14-5-4-12-10-16(22-11-13(12)9-14)23-18(6-2-7-18)17-15(20)3-1-8-21-17/h1,3-5,8-11H,2,6-7H2,(H,22,23).
What are the key properties of 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine?
7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine has a molecular weight of 372.24 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]isoquinolin-3-amine is sourced from PubChem (CID 123386859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).