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

C16H14BrN3 — CID 116784241

IUPAC3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
SMILESCc1cccnc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H14BrN3/c1-11-4-3-7-18-15(11)10-19-14-6-2-5-12-8-13(17)9-20-16(12)14/h2-9,19H,10H2,1H3
InChIKeySUEUXOHXYXSAOP-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.31
Rot. Bonds3

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

3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine (PubChem CID 116784241) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
PubChem CID116784241
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
SMILESCc1cccnc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H14BrN3/c1-11-4-3-7-18-15(11)10-19-14-6-2-5-12-8-13(17)9-20-16(12)14/h2-9,19H,10H2,1H3
InChIKeySUEUXOHXYXSAOP-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
CID 63305917
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174
3-iodo-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 113373429
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine (CID 116784241) is 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine is Cc1cccnc1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine?
The InChIKey is SUEUXOHXYXSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-11-4-3-7-18-15(11)10-19-14-6-2-5-12-8-13(17)9-20-16(12)14/h2-9,19H,10H2,1H3.
What are the key properties of 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine?
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine has a molecular weight of 328.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine is sourced from PubChem (CID 116784241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).