N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine

C18H21FN4O — CID 71849272

IUPACN-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESCc1nnc(CN(Cc2ccc(F)c3cccnc23)C(C)(C)C)o1
InChIInChI=1S/C18H21FN4O/c1-12-21-22-16(24-12)11-23(18(2,3)4)10-13-7-8-15(19)14-6-5-9-20-17(13)14/h5-9H,10-11H2,1-4H3
InChIKeyCZJOINHSQNWJOH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.87
Rot. Bonds4

About N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine

N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (PubChem CID 71849272) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
PubChem CID71849272
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
SMILESCc1nnc(CN(Cc2ccc(F)c3cccnc23)C(C)(C)C)o1
InChIInChI=1S/C18H21FN4O/c1-12-21-22-16(24-12)11-23(18(2,3)4)10-13-7-8-15(19)14-6-5-9-20-17(13)14/h5-9H,10-11H2,1-4H3
InChIKeyCZJOINHSQNWJOH-UHFFFAOYSA-N
XLogP3.87
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine (CID 71849272) is N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is Cc1nnc(CN(Cc2ccc(F)c3cccnc23)C(C)(C)C)o1.
What is the InChIKey of N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
The InChIKey is CZJOINHSQNWJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-21-22-16(24-12)11-23(18(2,3)4)10-13-7-8-15(19)14-6-5-9-20-17(13)14/h5-9H,10-11H2,1-4H3.
What are the key properties of N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine?
N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine has a molecular weight of 328.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoroquinolin-8-yl)methyl]-2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 71849272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).