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

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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).