3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine

C16H16BrN3S — CID 107082348

IUPAC3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
SMILESCc1nc(CN(C)c2nc3ccccc3cc2CBr)cs1
InChIInChI=1S/C16H16BrN3S/c1-11-18-14(10-21-11)9-20(2)16-13(8-17)7-12-5-3-4-6-15(12)19-16/h3-7,10H,8-9H2,1-2H3
InChIKeyFVYHPLWVGSKZIM-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.53
Rot. Bonds4

About 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine

3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine (PubChem CID 107082348) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
PubChem CID107082348
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
SMILESCc1nc(CN(C)c2nc3ccccc3cc2CBr)cs1
InChIInChI=1S/C16H16BrN3S/c1-11-18-14(10-21-11)9-20(2)16-13(8-17)7-12-5-3-4-6-15(12)19-16/h3-7,10H,8-9H2,1-2H3
InChIKeyFVYHPLWVGSKZIM-UHFFFAOYSA-N
XLogP4.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 133274872
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
3-(bromomethyl)-N-methyl-N-(2-methylphenyl)quinolin-2-amine
CID 107082571
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
N-[(4-bromothiophen-2-yl)methyl]-3-(chloromethyl)-N-methylquinolin-2-amine
CID 63541779
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791
3-(bromomethyl)-N,N-dibutylquinolin-2-amine
CID 107079757
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-3-amine
CID 133274853
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 103580161

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine (CID 107082348) is 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine is Cc1nc(CN(C)c2nc3ccccc3cc2CBr)cs1.
What is the InChIKey of 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine?
The InChIKey is FVYHPLWVGSKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-11-18-14(10-21-11)9-20(2)16-13(8-17)7-12-5-3-4-6-15(12)19-16/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine?
3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine has a molecular weight of 362.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 107082348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).