N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine

C21H25N5O2 — CID 131948850

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
SMILESCc1ccc2cc(CNCc3noc(C4CC4)n3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C21H25N5O2/c1-14-2-3-16-11-17(12-22-13-19-24-21(28-25-19)15-4-5-15)20(23-18(16)10-14)26-6-8-27-9-7-26/h2-3,10-11,15,22H,4-9,12-13H2,1H3
InChIKeyJZHOSXQIUGWVPU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.93
Rot. Bonds6

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine (PubChem CID 131948850) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
PubChem CID131948850
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
SMILESCc1ccc2cc(CNCc3noc(C4CC4)n3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C21H25N5O2/c1-14-2-3-16-11-17(12-22-13-19-24-21(28-25-19)15-4-5-15)20(23-18(16)10-14)26-6-8-27-9-7-26/h2-3,10-11,15,22H,4-9,12-13H2,1H3
InChIKeyJZHOSXQIUGWVPU-UHFFFAOYSA-N
XLogP2.93
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine (CID 131948850) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine is Cc1ccc2cc(CNCc3noc(C4CC4)n3)c(N3CCOCC3)nc2c1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine?
The InChIKey is JZHOSXQIUGWVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-2-3-16-11-17(12-22-13-19-24-21(28-25-19)15-4-5-15)20(23-18(16)10-14)26-6-8-27-9-7-26/h2-3,10-11,15,22H,4-9,12-13H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine has a molecular weight of 379.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine is sourced from PubChem (CID 131948850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).