4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine

C22H20N4O — CID 56751108

IUPAC4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine
SMILESCc1ccc(Oc2ncccc2CNc2cc(C)c3ccccc3n2)cn1
InChIInChI=1S/C22H20N4O/c1-15-12-21(26-20-8-4-3-7-19(15)20)25-13-17-6-5-11-23-22(17)27-18-10-9-16(2)24-14-18/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyBWDKMJNNVNTTPV-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.05
Rot. Bonds5

About 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine

4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine (PubChem CID 56751108) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine
PubChem CID56751108
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine
SMILESCc1ccc(Oc2ncccc2CNc2cc(C)c3ccccc3n2)cn1
InChIInChI=1S/C22H20N4O/c1-15-12-21(26-20-8-4-3-7-19(15)20)25-13-17-6-5-11-23-22(17)27-18-10-9-16(2)24-14-18/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyBWDKMJNNVNTTPV-UHFFFAOYSA-N
XLogP5.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine?
The IUPAC name of 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine (CID 56751108) is 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine?
The canonical SMILES for 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine is Cc1ccc(Oc2ncccc2CNc2cc(C)c3ccccc3n2)cn1.
What is the InChIKey of 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine?
The InChIKey is BWDKMJNNVNTTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-12-21(26-20-8-4-3-7-19(15)20)25-13-17-6-5-11-23-22(17)27-18-10-9-16(2)24-14-18/h3-12,14H,13H2,1-2H3,(H,25,26).
What are the key properties of 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine?
4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]quinolin-2-amine is sourced from PubChem (CID 56751108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).