N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine

C18H20N4O — CID 56707377

IUPACN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine
SMILESCN(Cc1ccc2ccccc2n1)Cc1nc(CC2CC2)no1
InChIInChI=1S/C18H20N4O/c1-22(12-18-20-17(21-23-18)10-13-6-7-13)11-15-9-8-14-4-2-3-5-16(14)19-15/h2-5,8-9,13H,6-7,10-12H2,1H3
InChIKeyJNSUSSNUMQDPEJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.20
Rot. Bonds6

About N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine

N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine (PubChem CID 56707377) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine
PubChem CID56707377
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine
SMILESCN(Cc1ccc2ccccc2n1)Cc1nc(CC2CC2)no1
InChIInChI=1S/C18H20N4O/c1-22(12-18-20-17(21-23-18)10-13-6-7-13)11-15-9-8-14-4-2-3-5-16(14)19-15/h2-5,8-9,13H,6-7,10-12H2,1H3
InChIKeyJNSUSSNUMQDPEJ-UHFFFAOYSA-N
XLogP3.20
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine with MolForge

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Related Compounds

N-methyl-N-[[5-[[methyl(quinolin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-quinolin-2-ylmethanamine
CID 74539424
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
CID 42415429
4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 91835446
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 135112631
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 42189863
(3S,4R)-1-methyl-3-[[methyl(quinolin-2-ylmethyl)amino]methyl]piperidin-4-ol
CID 56854498
N'-hydroxy-3-[methyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 43209629
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 42395527

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine?
The IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine (CID 56707377) is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine is CN(Cc1ccc2ccccc2n1)Cc1nc(CC2CC2)no1.
What is the InChIKey of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine?
The InChIKey is JNSUSSNUMQDPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(12-18-20-17(21-23-18)10-13-6-7-13)11-15-9-8-14-4-2-3-5-16(14)19-15/h2-5,8-9,13H,6-7,10-12H2,1H3.
What are the key properties of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine?
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine has a molecular weight of 308.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 56707377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).