N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine

C17H19N3O — CID 81427997

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine
SMILESCc1nc(CNCCc2cccc3cccnc23)oc1C
InChIInChI=1S/C17H19N3O/c1-12-13(2)21-16(20-12)11-18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,18H,8,10-11H2,1-2H3
InChIKeyJGRIGFPQNLXHGT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine (PubChem CID 81427997) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine
PubChem CID81427997
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine
SMILESCc1nc(CNCCc2cccc3cccnc23)oc1C
InChIInChI=1S/C17H19N3O/c1-12-13(2)21-16(20-12)11-18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,18H,8,10-11H2,1-2H3
InChIKeyJGRIGFPQNLXHGT-UHFFFAOYSA-N
XLogP3.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine (CID 81427997) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine is Cc1nc(CNCCc2cccc3cccnc23)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine?
The InChIKey is JGRIGFPQNLXHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-13(2)21-16(20-12)11-18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,18H,8,10-11H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 81427997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).