N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine

C16H21N3O — CID 83105633

IUPACN-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-9-16(14-5-3-4-6-15(14)18-12)19-7-8-20-11-13(19)10-17-2/h3-6,9,13,17H,7-8,10-11H2,1-2H3
InChIKeyQLJCHIXKBKSKEM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.97
Rot. Bonds3

About N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine

N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine (PubChem CID 83105633) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine
PubChem CID83105633
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-12-9-16(14-5-3-4-6-15(14)18-12)19-7-8-20-11-13(19)10-17-2/h3-6,9,13,17H,7-8,10-11H2,1-2H3
InChIKeyQLJCHIXKBKSKEM-UHFFFAOYSA-N
XLogP1.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine (CID 83105633) is N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine is CNCC1COCCN1c1cc(C)nc2ccccc12.
What is the InChIKey of N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine?
The InChIKey is QLJCHIXKBKSKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-9-16(14-5-3-4-6-15(14)18-12)19-7-8-20-11-13(19)10-17-2/h3-6,9,13,17H,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine?
N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylquinolin-4-yl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83105633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).