2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol

C26H28N4O4 — CID 143092910

IUPAC2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol
SMILESCOc1cc2c(Oc3cc(C)c(C)nc3-c3cccnc3)ccnc2cc1OCC(CN)CO
InChIInChI=1S/C26H28N4O4/c1-16-9-25(26(30-17(16)2)19-5-4-7-28-13-19)34-22-6-8-29-21-11-24(23(32-3)10-20(21)22)33-15-18(12-27)14-31/h4-11,13,18,31H,12,14-15,27H2,1-3H3
InChIKeyULZMYWMAWBJMNA-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.06
Rot. Bonds9

About 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol

2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol (PubChem CID 143092910) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol
PubChem CID143092910
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol
SMILESCOc1cc2c(Oc3cc(C)c(C)nc3-c3cccnc3)ccnc2cc1OCC(CN)CO
InChIInChI=1S/C26H28N4O4/c1-16-9-25(26(30-17(16)2)19-5-4-7-28-13-19)34-22-6-8-29-21-11-24(23(32-3)10-20(21)22)33-15-18(12-27)14-31/h4-11,13,18,31H,12,14-15,27H2,1-3H3
InChIKeyULZMYWMAWBJMNA-UHFFFAOYSA-N
XLogP4.06
TPSA112.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

6,7-dimethoxy-4-[[2-(5-methoxy-3-pyridinyl)-5,6-dimethyl-3-pyridinyl]oxy]quinoline
CID 23156578
2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-5,6-dimethyl-2-pyridinyl]-4,5-dimethyl-1,3-thiazole
CID 23156647
3-[6-methoxy-4-[(2-methyl-1,8-naphthyridin-3-yl)oxy]quinolin-7-yl]oxypropane-1,2-diol
CID 23078505
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
CID 23156614
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,6-naphthyridine
CID 23078530
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517
7-(3-chloropropoxy)-6-methoxy-4-(2-methylquinolin-3-yl)oxyquinoline
CID 23078503
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-fluoro-5-[7-(2-hydroxyethoxy)-6-methoxyquinolin-4-yl]oxy-4-phenylpyridine-3-carboxamide
CID 175908278
4-[4,5-dimethyl-2-(1-nitrosoethyl)phenoxy]-6,7-dimethoxyquinoline
CID 91595077
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol (CID 143092910) is 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol is COc1cc2c(Oc3cc(C)c(C)nc3-c3cccnc3)ccnc2cc1OCC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol?
The InChIKey is ULZMYWMAWBJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-16-9-25(26(30-17(16)2)19-5-4-7-28-13-19)34-22-6-8-29-21-11-24(23(32-3)10-20(21)22)33-15-18(12-27)14-31/h4-11,13,18,31H,12,14-15,27H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol?
2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol has a molecular weight of 460.53 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[4-[(5,6-dimethyl-2-pyridin-3-yl-3-pyridinyl)oxy]-6-methoxyquinolin-7-yl]oxypropan-1-ol is sourced from PubChem (CID 143092910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).