6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine

C16H19BrN4O — CID 135170022

IUPAC6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine
SMILESCN1CCC(N(C)c2c(N=O)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H19BrN4O/c1-20-7-5-12(6-8-20)21(2)16-13-9-11(17)3-4-14(13)18-10-15(16)19-22/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyCOIGMSSDZHMHPN-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.93
Rot. Bonds3

About 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine

6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine (PubChem CID 135170022) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine
PubChem CID135170022
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine
SMILESCN1CCC(N(C)c2c(N=O)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H19BrN4O/c1-20-7-5-12(6-8-20)21(2)16-13-9-11(17)3-4-14(13)18-10-15(16)19-22/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyCOIGMSSDZHMHPN-UHFFFAOYSA-N
XLogP3.93
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 55137155
[6-bromo-4-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]quinolin-3-yl]-cyclopropylmethanone
CID 123770582
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
3-O-ethyl 6-O-methyl 4-[methyl-(1-methylpiperidin-4-yl)amino]quinoline-3,6-dicarboxylate
CID 23987403
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
6-bromo-N-[(1-methylpiperidin-4-yl)methyl]-3-methylsulfonylquinolin-4-amine
CID 66715661
7-bromo-3-(1-methylpiperidin-4-yl)quinoline
CID 169112519
5-[3-(cyclopropanecarbonyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]quinolin-6-yl]pyrimidine-2-carbonitrile
CID 66716620
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631408
1-(6-bromoquinazolin-2-yl)-N,N-dimethylpiperidin-4-amine
CID 172905670
1-[1-(6-bromo-3-methylsulfonylquinolin-4-yl)piperidin-4-yl]-N,N-dimethylethanamine
CID 66715267

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine?
The IUPAC name of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine (CID 135170022) is 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine?
The canonical SMILES for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine is CN1CCC(N(C)c2c(N=O)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine?
The InChIKey is COIGMSSDZHMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-20-7-5-12(6-8-20)21(2)16-13-9-11(17)3-4-14(13)18-10-15(16)19-22/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine?
6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine has a molecular weight of 363.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(1-methylpiperidin-4-yl)-3-nitrosoquinolin-4-amine is sourced from PubChem (CID 135170022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).