N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine

C18H25N3 — CID 63625591

IUPACN-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine
SMILESCNCc1cc(N2CCCC(C)CC2)nc2ccccc12
InChIInChI=1S/C18H25N3/c1-14-6-5-10-21(11-9-14)18-12-15(13-19-2)16-7-3-4-8-17(16)20-18/h3-4,7-8,12,14,19H,5-6,9-11,13H2,1-2H3
InChIKeyXXICMHZQSVXAHW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine

N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine (PubChem CID 63625591) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine
PubChem CID63625591
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine
SMILESCNCc1cc(N2CCCC(C)CC2)nc2ccccc12
InChIInChI=1S/C18H25N3/c1-14-6-5-10-21(11-9-14)18-12-15(13-19-2)16-7-3-4-8-17(16)20-18/h3-4,7-8,12,14,19H,5-6,9-11,13H2,1-2H3
InChIKeyXXICMHZQSVXAHW-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-pyrrolidin-1-ylquinolin-4-yl)methanamine
CID 62286601
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine
CID 55054842
N-methyl-1-(2-morpholin-4-ylquinolin-4-yl)methanamine
CID 62285578
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374156
1-[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]-N-methylmethanamine
CID 62285601
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106776173
N-methyl-1-[6-(4-methylazepan-1-yl)-2-pyridinyl]methanamine
CID 63626658
N-[[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methyl]propan-1-amine
CID 62286928
1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374160
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine (CID 63625591) is N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine is CNCc1cc(N2CCCC(C)CC2)nc2ccccc12.
What is the InChIKey of N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine?
The InChIKey is XXICMHZQSVXAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-6-5-10-21(11-9-14)18-12-15(13-19-2)16-7-3-4-8-17(16)20-18/h3-4,7-8,12,14,19H,5-6,9-11,13H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine?
N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine is sourced from PubChem (CID 63625591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).