8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine

C16H14BrN3O — CID 133370213

IUPAC8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2ccc3cccc(Br)c3n2)cn1
InChIInChI=1S/C16H14BrN3O/c1-21-15-8-5-11(10-19-15)9-18-14-7-6-12-3-2-4-13(17)16(12)20-14/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyRZSZHRHPOFXDMQ-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.01
Rot. Bonds4

About 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine

8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine (PubChem CID 133370213) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
PubChem CID133370213
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2ccc3cccc(Br)c3n2)cn1
InChIInChI=1S/C16H14BrN3O/c1-21-15-8-5-11(10-19-15)9-18-14-7-6-12-3-2-4-13(17)16(12)20-14/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyRZSZHRHPOFXDMQ-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-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
CID 133370284
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine?
The IUPAC name of 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine (CID 133370213) is 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine.
What is the SMILES notation for 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine?
The canonical SMILES for 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine is COc1ccc(CNc2ccc3cccc(Br)c3n2)cn1.
What is the InChIKey of 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine?
The InChIKey is RZSZHRHPOFXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-15-8-5-11(10-19-15)9-18-14-7-6-12-3-2-4-13(17)16(12)20-14/h2-8,10H,9H2,1H3,(H,18,20).
What are the key properties of 8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine?
8-bromo-N-[(6-methoxy-3-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-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine is sourced from PubChem (CID 133370213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).