6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine

C16H20BrN3O — CID 61431679

IUPAC6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
SMILESCN(CC1CCCCO1)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c1-20(10-12-4-2-3-7-21-12)16-13-8-11(17)5-6-15(13)19-9-14(16)18/h5-6,8-9,12H,2-4,7,10,18H2,1H3
InChIKeyLHGLBTXYYJNNBG-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.58
Rot. Bonds3

About 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine

6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine (PubChem CID 61431679) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
PubChem CID61431679
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
SMILESCN(CC1CCCCO1)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c1-20(10-12-4-2-3-7-21-12)16-13-8-11(17)5-6-15(13)19-9-14(16)18/h5-6,8-9,12H,2-4,7,10,18H2,1H3
InChIKeyLHGLBTXYYJNNBG-UHFFFAOYSA-N
XLogP3.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 82972442
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
5-bromo-N-methyl-N-(oxan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 61432414

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine (CID 61431679) is 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine is CN(CC1CCCCO1)c1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine?
The InChIKey is LHGLBTXYYJNNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-20(10-12-4-2-3-7-21-12)16-13-8-11(17)5-6-15(13)19-9-14(16)18/h5-6,8-9,12H,2-4,7,10,18H2,1H3.
What are the key properties of 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine?
6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine has a molecular weight of 350.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine is sourced from PubChem (CID 61431679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).