2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide

C17H18BrN3 — CID 107279308

IUPAC2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)Cc3ccccc32)cc1Br
InChIInChI=1S/C17H18BrN3/c1-11-8-12-4-2-3-5-16(12)21(10-11)13-6-7-14(17(19)20)15(18)9-13/h2-7,9,11H,8,10H2,1H3,(H3,19,20)
InChIKeyJLEDNCGZLUHSIP-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide

2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide (PubChem CID 107279308) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
PubChem CID107279308
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)Cc3ccccc32)cc1Br
InChIInChI=1S/C17H18BrN3/c1-11-8-12-4-2-3-5-16(12)21(10-11)13-6-7-14(17(19)20)15(18)9-13/h2-7,9,11H,8,10H2,1H3,(H3,19,20)
InChIKeyJLEDNCGZLUHSIP-UHFFFAOYSA-N
XLogP4.06
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 115368336
2-bromo-4-(2,3,5-trimethylpiperidin-1-yl)benzenecarboximidamide
CID 107279406
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
2-bromo-4-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107279080
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 63535829
2-bromo-4-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 107279128
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
2-bromo-4-(3-methylsulfonylthiomorpholin-4-yl)benzenecarboximidamide
CID 107279347
1-[3-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
CID 63532356
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420
2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzenecarboximidamide
CID 81268399
2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide (CID 107279308) is 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)Cc3ccccc32)cc1Br.
What is the InChIKey of 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
The InChIKey is JLEDNCGZLUHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-11-8-12-4-2-3-5-16(12)21(10-11)13-6-7-14(17(19)20)15(18)9-13/h2-7,9,11H,8,10H2,1H3,(H3,19,20).
What are the key properties of 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide?
2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide has a molecular weight of 344.26 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107279308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).