6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one

C23H23ClN6O — CID 167559467

IUPAC6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one
SMILESCn1c(=O)c(-n2cccc2)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21
InChIInChI=1S/C23H23ClN6O/c1-28-19-8-7-17(13-16(19)14-20(22(28)31)29-9-5-6-10-29)26-21-18(24)15-25-23(27-21)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3,(H,25,26,27)
InChIKeySFZAYHUBCLUCLO-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.51
Rot. Bonds4

About 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one

6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one (PubChem CID 167559467) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one.

Molecular Properties

Compound Name6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one
PubChem CID167559467
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one
SMILESCn1c(=O)c(-n2cccc2)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21
InChIInChI=1S/C23H23ClN6O/c1-28-19-8-7-17(13-16(19)14-20(22(28)31)29-9-5-6-10-29)26-21-18(24)15-25-23(27-21)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3,(H,25,26,27)
InChIKeySFZAYHUBCLUCLO-UHFFFAOYSA-N
XLogP4.51
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-ethoxy-1-methylquinolin-2-one
CID 156729296
2-[6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one
CID 167629196
6-[[5-chloro-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167558888
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
6-[[5-chloro-2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167532311
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-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-ethylacetamide
CID 166077300
6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyquinolin-2-one
CID 165380122
6-[[5-chloro-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxobutoxy)quinolin-2-one
CID 167582959
2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-[2-(dimethylamino)ethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide;ethane
CID 166077383
6-[[5-chloro-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-3-(2-methylpropoxy)quinolin-2-one
CID 135137793
2-[6-[[5-chloro-2-[3-(ethylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxyacetic acid
CID 135138077

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one?
The IUPAC name of 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one (CID 167559467) is 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one.
What is the SMILES notation for 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one?
The canonical SMILES for 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one is Cn1c(=O)c(-n2cccc2)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.
What is the InChIKey of 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one?
The InChIKey is SFZAYHUBCLUCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-28-19-8-7-17(13-16(19)14-20(22(28)31)29-9-5-6-10-29)26-21-18(24)15-25-23(27-21)30-11-3-2-4-12-30/h5-10,13-15H,2-4,11-12H2,1H3,(H,25,26,27).
What are the key properties of 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one?
6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one has a molecular weight of 434.93 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one is sourced from PubChem (CID 167559467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).