2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane

C25H34ClN7O4 — CID 168941442

IUPAC2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane
SMILESCC.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(N)CC4)ncc3Cl)cc(OC)c2n(C)c1=O
InChIInChI=1S/C23H28ClN7O4.C2H6/c1-26-19(32)12-35-18-9-13-8-15(10-17(34-3)20(13)30(2)22(18)33)28-21-16(24)11-27-23(29-21)31-6-4-14(25)5-7-31;1-2/h8-11,14H,4-7,12,25H2,1-3H3,(H,26,32)(H,27,28,29);1-2H3
InChIKeyQBFBWKNQERJIAG-UHFFFAOYSA-N
MW532.05 g/mol
LogP2.81
Rot. Bonds7

About 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane

2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane (PubChem CID 168941442) has the molecular formula C25H34ClN7O4 and a molecular weight of 532.05 g/mol. Its IUPAC name is 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane.

Molecular Properties

Compound Name2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane
PubChem CID168941442
Molecular FormulaC25H34ClN7O4
Molecular Weight532.05 g/mol
Exact Mass531.24
IUPAC Name2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane
SMILESCC.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(N)CC4)ncc3Cl)cc(OC)c2n(C)c1=O
InChIInChI=1S/C23H28ClN7O4.C2H6/c1-26-19(32)12-35-18-9-13-8-15(10-17(34-3)20(13)30(2)22(18)33)28-21-16(24)11-27-23(29-21)31-6-4-14(25)5-7-31;1-2/h8-11,14H,4-7,12,25H2,1-3H3,(H,26,32)(H,27,28,29);1-2H3
InChIKeyQBFBWKNQERJIAG-UHFFFAOYSA-N
XLogP2.81
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.05
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane 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

2-[6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137589
2-[6-[[5-chloro-2-(4-fluoroazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137511
2-[1-[5-chloro-4-[[1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidin-4-yl]-2-methylpropanoic acid
CID 135137504
2-[6-[[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137742
2-[6-[[5-chloro-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137496
N-[6-[[2-[3-acetyl-2-(2-methylbutanoyl)phenoxy]acetyl]amino]hexyl]-1-[4-[[3-(2-amino-2-oxoethoxy)-8-methoxy-1-methyl-2-oxoquinolin-6-yl]amino]-5-chloropyrimidin-2-yl]piperidine-4-carboxamide
CID 168941446
1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N-[11-[[2-[(E)-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]oxyacetyl]amino]undecyl]piperidine-4-carboxamide
CID 167058905
N-[9-[4-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]piperidin-1-yl]-9-oxononyl]-1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]piperidine-4-carboxamide
CID 177124183
1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N-[2-[2-[2-[[2-[(E)-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]oxyacetyl]amino]ethoxy]ethoxy]ethyl]piperidine-4-carboxamide
CID 167059030
2-[6-[[5-chloro-2-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 142606275
2-[6-[[5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137908
2-[6-[[5-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137929

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane?
The IUPAC name of 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane (CID 168941442) is 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane.
What is the SMILES notation for 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane?
The canonical SMILES for 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane is CC.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(N)CC4)ncc3Cl)cc(OC)c2n(C)c1=O.
What is the InChIKey of 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane?
The InChIKey is QBFBWKNQERJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O4.C2H6/c1-26-19(32)12-35-18-9-13-8-15(10-17(34-3)20(13)30(2)22(18)33)28-21-16(24)11-27-23(29-21)31-6-4-14(25)5-7-31;1-2/h8-11,14H,4-7,12,25H2,1-3H3,(H,26,32)(H,27,28,29);1-2H3.
What are the key properties of 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane?
2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane has a molecular weight of 532.05 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-(4-aminopiperidin-1-yl)-5-chloropyrimidin-4-yl]amino]-8-methoxy-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane is sourced from PubChem (CID 168941442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).