8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine

C16H14BrN3O — CID 133370284

IUPAC8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
SMILESCOc1cc(CNc2ccc3cccc(Br)c3n2)ccn1
InChIInChI=1S/C16H14BrN3O/c1-21-15-9-11(7-8-18-15)10-19-14-6-5-12-3-2-4-13(17)16(12)20-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyFTFYIVQYQAGWIC-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.01
Rot. Bonds4

About 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine

8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine (PubChem CID 133370284) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
PubChem CID133370284
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
SMILESCOc1cc(CNc2ccc3cccc(Br)c3n2)ccn1
InChIInChI=1S/C16H14BrN3O/c1-21-15-9-11(7-8-18-15)10-19-14-6-5-12-3-2-4-13(17)16(12)20-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyFTFYIVQYQAGWIC-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
CID 133370213
6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001
2-bromo-6-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 114881000
N-[(2-methoxy-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372545
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62989679
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine?
The IUPAC name of 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine (CID 133370284) is 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine.
What is the SMILES notation for 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine?
The canonical SMILES for 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine is COc1cc(CNc2ccc3cccc(Br)c3n2)ccn1.
What is the InChIKey of 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine?
The InChIKey is FTFYIVQYQAGWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-15-9-11(7-8-18-15)10-19-14-6-5-12-3-2-4-13(17)16(12)20-14/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine?
8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine has a molecular weight of 344.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine is sourced from PubChem (CID 133370284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).