methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate

C24H28N4O3 — CID 163390359

IUPACmethyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate
SMILESCOC(=O)c1cncc2ccc(NCc3ccc(OCC4CCN(C)CC4)nc3)cc12
InChIInChI=1S/C24H28N4O3/c1-28-9-7-17(8-10-28)16-31-23-6-3-18(13-27-23)12-26-20-5-4-19-14-25-15-22(21(19)11-20)24(29)30-2/h3-6,11,13-15,17,26H,7-10,12,16H2,1-2H3
InChIKeyAMXPJMFTCKFPHD-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.75
Rot. Bonds7

About methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate

methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate (PubChem CID 163390359) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate
PubChem CID163390359
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Namemethyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate
SMILESCOC(=O)c1cncc2ccc(NCc3ccc(OCC4CCN(C)CC4)nc3)cc12
InChIInChI=1S/C24H28N4O3/c1-28-9-7-17(8-10-28)16-31-23-6-3-18(13-27-23)12-26-20-5-4-19-14-25-15-22(21(19)11-20)24(29)30-2/h3-6,11,13-15,17,26H,7-10,12,16H2,1-2H3
InChIKeyAMXPJMFTCKFPHD-UHFFFAOYSA-N
XLogP3.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate 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

methyl 6-[methyl-[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]amino]isoquinoline-4-carboxylate
CID 174191876
methyl N-[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl]carbamate
CID 163390471
[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496845
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025154
[6-[[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethoxy)-3-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496830
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51102664
benzyl 4-[[5-[[[1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]isoquinolin-6-yl]amino]methyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate;molecular hydrogen
CID 163390357
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 95687305
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110917761
methyl 3-(cyclopropylmethoxy)-1-methylpyrazole-5-carboxylate
CID 146278831

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate?
The IUPAC name of methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate (CID 163390359) is methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate.
What is the SMILES notation for methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate?
The canonical SMILES for methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate is COC(=O)c1cncc2ccc(NCc3ccc(OCC4CCN(C)CC4)nc3)cc12.
What is the InChIKey of methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate?
The InChIKey is AMXPJMFTCKFPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-28-9-7-17(8-10-28)16-31-23-6-3-18(13-27-23)12-26-20-5-4-19-14-25-15-22(21(19)11-20)24(29)30-2/h3-6,11,13-15,17,26H,7-10,12,16H2,1-2H3.
What are the key properties of methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate?
methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]methylamino]isoquinoline-4-carboxylate is sourced from PubChem (CID 163390359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).