(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine

C15H13BrN2O — CID 105150602

IUPAC(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
SMILESCc1cc(C(N)c2occc2Br)c2ccccc2n1
InChIInChI=1S/C15H13BrN2O/c1-9-8-11(10-4-2-3-5-13(10)18-9)14(17)15-12(16)6-7-19-15/h2-8,14H,17H2,1H3
InChIKeyZOJYOFAVZMQGOM-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.95
Rot. Bonds2

About (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine

(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine (PubChem CID 105150602) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
PubChem CID105150602
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
SMILESCc1cc(C(N)c2occc2Br)c2ccccc2n1
InChIInChI=1S/C15H13BrN2O/c1-9-8-11(10-4-2-3-5-13(10)18-9)14(17)15-12(16)6-7-19-15/h2-8,14H,17H2,1H3
InChIKeyZOJYOFAVZMQGOM-UHFFFAOYSA-N
XLogP3.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602
[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
CID 105322666
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
CID 63941679
(5-methyl-3-pyridinyl)-(2-methylquinolin-4-yl)methanamine
CID 105173927
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
(3-ethylphenyl)-(2-methylquinolin-4-yl)methanamine
CID 105171179
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
CID 105186319

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine (CID 105150602) is (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine is Cc1cc(C(N)c2occc2Br)c2ccccc2n1.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine?
The InChIKey is ZOJYOFAVZMQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-8-11(10-4-2-3-5-13(10)18-9)14(17)15-12(16)6-7-19-15/h2-8,14H,17H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine?
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine has a molecular weight of 317.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 105150602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).