2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one

C22H20N4O2 — CID 45194773

IUPAC2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
SMILESCc1ccc(Oc2ncccc2CNCc2cc(=O)c3ccccc3[nH]2)cn1
InChIInChI=1S/C22H20N4O2/c1-15-8-9-18(14-25-15)28-22-16(5-4-10-24-22)12-23-13-17-11-21(27)19-6-2-3-7-20(19)26-17/h2-11,14,23H,12-13H2,1H3,(H,26,27)
InChIKeyRWQNWPJTDYURKN-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.71
Rot. Bonds6

About 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one

2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one (PubChem CID 45194773) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
PubChem CID45194773
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one
SMILESCc1ccc(Oc2ncccc2CNCc2cc(=O)c3ccccc3[nH]2)cn1
InChIInChI=1S/C22H20N4O2/c1-15-8-9-18(14-25-15)28-22-16(5-4-10-24-22)12-23-13-17-11-21(27)19-6-2-3-7-20(19)26-17/h2-11,14,23H,12-13H2,1H3,(H,26,27)
InChIKeyRWQNWPJTDYURKN-UHFFFAOYSA-N
XLogP3.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
4-tert-butyl-N-(6-pyridin-3-yloxypyridin-3-yl)benzamide
CID 2800172
N-(6-pyridin-3-yloxypyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 2800173
3-Butyryl-4-(2-methylphenylamino)-8-(3-dimethylaminopropoxy)quinoline
CID 9931129
3-Butyryl-4-(2-methylphenylamino)-8-(3-piperidinopropoxy)quinoline
CID 9980963
3-Butyryl-4-(2-methylphenylamino)-8-(2-dimethylaminoethoxy)quinoline
CID 10023371
3-Butyryl-4-(2-methylphenylamino)-8-(3-morpholinopropoxy)quinoline
CID 10253053
3-butyryl-4-(2-methylphenylamino)-8-(3-(N-benzyl-N-methylamino)propoxy)quinoline
CID 10367949
Pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11279826
2-({[4-(3-hydroxy-3-methylbutoxy)pyridin-2-yl]oxy}methyl)-3-methylquinolin-4(1H)-one
CID 25254173
N-(6-(pyridin-3-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44250364

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one (CID 45194773) is 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one is Cc1ccc(Oc2ncccc2CNCc2cc(=O)c3ccccc3[nH]2)cn1.
What is the InChIKey of 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one?
The InChIKey is RWQNWPJTDYURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-15-8-9-18(14-25-15)28-22-16(5-4-10-24-22)12-23-13-17-11-21(27)19-6-2-3-7-20(19)26-17/h2-11,14,23H,12-13H2,1H3,(H,26,27).
What are the key properties of 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one?
2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one has a molecular weight of 372.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 45194773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).