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

C20H18N4O — CID 50968687

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1ccnc2ccccc12
InChIInChI=1S/C20H18N4O/c1-24(13-16-8-11-22-19-5-3-2-4-18(16)19)14-17-12-20(23-25-17)15-6-9-21-10-7-15/h2-12H,13-14H2,1H3
InChIKeyFBTQLNCENMHKBM-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.92
Rot. Bonds5

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

N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine (PubChem CID 50968687) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine
PubChem CID50968687
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1ccnc2ccccc12
InChIInChI=1S/C20H18N4O/c1-24(13-16-8-11-22-19-5-3-2-4-18(16)19)14-17-12-20(23-25-17)15-6-9-21-10-7-15/h2-12H,13-14H2,1H3
InChIKeyFBTQLNCENMHKBM-UHFFFAOYSA-N
XLogP3.92
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxo-N-quinolin-6-ylacetamide
CID 11811669
5-methyl-3-phenyl-N,N-bis(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 2738482
US20230285377, Example 35
CID 166761044
1-(4-Isoquinolin-4-ylpiperazin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155545133
US10745401, Example 24
CID 146343550
2-(5-{[2-(4-Fluorophenyl)-1-piperidinyl]methyl}-3-isoxazolyl)pyridine
CID 56910094
3-(4-Fluorophenyl)-5-(3-propylquinolin-2-yl)-1,2-oxazole
CID 76311028
5-(3-Butylquinolin-2-yl)-3-(4-methylphenyl)-1,2-oxazole
CID 76311029
5-(3-Ethylquinolin-2-yl)-3-phenyl-1,2-oxazole
CID 76318229
3-(4-Methylphenyl)-5-(3-propylquinolin-2-yl)-1,2-oxazole
CID 76318230
5-(3-Pentylquinolin-2-yl)-3-phenyl-1,2-oxazole
CID 76321919
5-(3-Ethylquinolin-2-yl)-3-(4-methylphenyl)-1,2-oxazole
CID 76321920

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine (CID 50968687) is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine is CN(Cc1cc(-c2ccncc2)no1)Cc1ccnc2ccccc12.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine?
The InChIKey is FBTQLNCENMHKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24(13-16-8-11-22-19-5-3-2-4-18(16)19)14-17-12-20(23-25-17)15-6-9-21-10-7-15/h2-12H,13-14H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine?
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine has a molecular weight of 330.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 50968687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).