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

C16H11BrF2N2 — CID 116783545

IUPAC3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
SMILESFc1cccc(CNc2cccc3cc(Br)cnc23)c1F
InChIInChI=1S/C16H11BrF2N2/c17-12-7-10-3-2-6-14(16(10)21-9-12)20-8-11-4-1-5-13(18)15(11)19/h1-7,9,20H,8H2
InChIKeyBNFSYHVKRFQFEF-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.89
Rot. Bonds3

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

3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine (PubChem CID 116783545) has the molecular formula C16H11BrF2N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
PubChem CID116783545
Molecular FormulaC16H11BrF2N2
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
SMILESFc1cccc(CNc2cccc3cc(Br)cnc23)c1F
InChIInChI=1S/C16H11BrF2N2/c17-12-7-10-3-2-6-14(16(10)21-9-12)20-8-11-4-1-5-13(18)15(11)19/h1-7,9,20H,8H2
InChIKeyBNFSYHVKRFQFEF-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
CID 102616013
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
2-N-(3-bromoquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783079
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine (CID 116783545) is 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine is Fc1cccc(CNc2cccc3cc(Br)cnc23)c1F.
What is the InChIKey of 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine?
The InChIKey is BNFSYHVKRFQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2/c17-12-7-10-3-2-6-14(16(10)21-9-12)20-8-11-4-1-5-13(18)15(11)19/h1-7,9,20H,8H2.
What are the key properties of 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine?
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine has a molecular weight of 349.18 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).