(3-bromofuran-2-yl)-quinolin-2-ylmethanamine

C14H11BrN2O — CID 63941679

IUPAC(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
SMILESNC(c1ccc2ccccc2n1)c1occc1Br
InChIInChI=1S/C14H11BrN2O/c15-10-7-8-18-14(10)13(16)12-6-5-9-3-1-2-4-11(9)17-12/h1-8,13H,16H2
InChIKeyROSWRFXLIWYRII-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.64
Rot. Bonds2

About (3-bromofuran-2-yl)-quinolin-2-ylmethanamine

(3-bromofuran-2-yl)-quinolin-2-ylmethanamine (PubChem CID 63941679) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-quinolin-2-ylmethanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
PubChem CID63941679
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
SMILESNC(c1ccc2ccccc2n1)c1occc1Br
InChIInChI=1S/C14H11BrN2O/c15-10-7-8-18-14(10)13(16)12-6-5-9-3-1-2-4-11(9)17-12/h1-8,13H,16H2
InChIKeyROSWRFXLIWYRII-UHFFFAOYSA-N
XLogP3.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229
(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
CID 106645567
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
CID 105150602
(3-bromofuran-2-yl)-(2-phenyltriazol-4-yl)methanamine
CID 105150494
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105150606
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
amino(quinolin-2-yl)methanol
CID 154237779
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
amino(quinolin-2-yl)methanesulfinic acid
CID 66872593
2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
CID 63222511

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-quinolin-2-ylmethanamine?
The IUPAC name of (3-bromofuran-2-yl)-quinolin-2-ylmethanamine (CID 63941679) is (3-bromofuran-2-yl)-quinolin-2-ylmethanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-quinolin-2-ylmethanamine?
The canonical SMILES for (3-bromofuran-2-yl)-quinolin-2-ylmethanamine is NC(c1ccc2ccccc2n1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-quinolin-2-ylmethanamine?
The InChIKey is ROSWRFXLIWYRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-10-7-8-18-14(10)13(16)12-6-5-9-3-1-2-4-11(9)17-12/h1-8,13H,16H2.
What are the key properties of (3-bromofuran-2-yl)-quinolin-2-ylmethanamine?
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine has a molecular weight of 303.16 g/mol, XLogP of 3.64, 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)-quinolin-2-ylmethanamine is sourced from PubChem (CID 63941679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).