3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine

C16H20BrN3 — CID 116783293

IUPAC3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine
SMILESCN1CCCCC1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-20-8-3-2-6-14(20)11-18-15-7-4-5-12-9-13(17)10-19-16(12)15/h4-5,7,9-10,14,18H,2-3,6,8,11H2,1H3
InChIKeyROGDAJLXVUAORC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.89
Rot. Bonds3

About 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine

3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine (PubChem CID 116783293) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine
PubChem CID116783293
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine
SMILESCN1CCCCC1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-20-8-3-2-6-14(20)11-18-15-7-4-5-12-9-13(17)10-19-16(12)15/h4-5,7,9-10,14,18H,2-3,6,8,11H2,1H3
InChIKeyROGDAJLXVUAORC-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
CID 116784263
N-[(1-methylpiperidin-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 62658263
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
1-[2-[(1-methylpiperidin-2-yl)methylamino]phenyl]-3-naphthalen-1-ylurea
CID 70821492
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 103768221
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-3-bromoquinolin-8-amine
CID 116783705
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
2-bromo-6-[(1-methylpyrrolidin-2-yl)methylamino]benzonitrile
CID 106024686
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 106026915
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 104716575

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine (CID 116783293) is 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine is CN1CCCCC1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine?
The InChIKey is ROGDAJLXVUAORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-20-8-3-2-6-14(20)11-18-15-7-4-5-12-9-13(17)10-19-16(12)15/h4-5,7,9-10,14,18H,2-3,6,8,11H2,1H3.
What are the key properties of 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine?
3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine has a molecular weight of 334.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-methylpiperidin-2-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).