1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C82H116N20O6 — CID 157119734

IUPAC1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cc(N2CCCN(CN3C(=O)CCC4=C3CCCC4)CC2)nc(C)n1.Cc1cc(N2CCCN(CN3C(=O)CCC4=C3CCCC4=O)CC2)nc(C)n1.Cc1cc(N2CCN(CN3C(=O)CCC4=C3CCCC4)CC2)nc(C)n1.Cc1cc(N2CCN(CN3C(=O)CCC4=C3CCCC4=O)CC2)nc(C)n1
InChIInChI=1S/C21H29N5O2.C21H31N5O.C20H27N5O2.C20H29N5O/c1-15-13-20(23-16(2)22-15)25-10-4-9-24(11-12-25)14-26-18-5-3-6-19(27)17(18)7-8-21(26)28;1-16-14-20(23-17(2)22-16)25-11-5-10-24(12-13-25)15-26-19-7-4-3-6-18(19)8-9-21(26)27;1-14-12-19(22-15(2)21-14)24-10-8-23(9-11-24)13-25-17-4-3-5-18(26)16(17)6-7-20(25)27;1-15-13-19(22-16(2)21-15)24-11-9-23(10-12-24)14-25-18-6-4-3-5-17(18)7-8-20(25)26/h13H,3-12,14H2,1-2H3;14H,3-13,15H2,1-2H3;12H,3-11,13H2,1-2H3;13H,3-12,14H2,1-2H3
InChIKeyAHVDOASDXYFGNJ-UHFFFAOYSA-N
MW1477.96 g/mol
LogP9.63
Rot. Bonds12

About 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 157119734) has the molecular formula C82H116N20O6 and a molecular weight of 1477.96 g/mol. Its IUPAC name is 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID157119734
Molecular FormulaC82H116N20O6
Molecular Weight1477.96 g/mol
Exact Mass1476.94
IUPAC Name1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cc(N2CCCN(CN3C(=O)CCC4=C3CCCC4)CC2)nc(C)n1.Cc1cc(N2CCCN(CN3C(=O)CCC4=C3CCCC4=O)CC2)nc(C)n1.Cc1cc(N2CCN(CN3C(=O)CCC4=C3CCCC4)CC2)nc(C)n1.Cc1cc(N2CCN(CN3C(=O)CCC4=C3CCCC4=O)CC2)nc(C)n1
InChIInChI=1S/C21H29N5O2.C21H31N5O.C20H27N5O2.C20H29N5O/c1-15-13-20(23-16(2)22-15)25-10-4-9-24(11-12-25)14-26-18-5-3-6-19(27)17(18)7-8-21(26)28;1-16-14-20(23-17(2)22-16)25-11-5-10-24(12-13-25)15-26-19-7-4-3-6-18(19)8-9-21(26)27;1-14-12-19(22-15(2)21-14)24-10-8-23(9-11-24)13-25-17-4-3-5-18(26)16(17)6-7-20(25)27;1-15-13-19(22-16(2)21-15)24-11-9-23(10-12-24)14-25-18-6-4-3-5-17(18)7-8-20(25)26/h13H,3-12,14H2,1-2H3;14H,3-13,15H2,1-2H3;12H,3-11,13H2,1-2H3;13H,3-12,14H2,1-2H3
InChIKeyAHVDOASDXYFGNJ-UHFFFAOYSA-N
XLogP9.63
TPSA244.42 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001477.96
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 58266957
5-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one;ethane
CID 123690003
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
3-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 54939146
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone;ethane
CID 123957128
1-[2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 165432024
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 58266958
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56817325
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 91631597

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 157119734) is 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cc(N2CCCN(CN3C(=O)CCC4=C3CCCC4)CC2)nc(C)n1.Cc1cc(N2CCCN(CN3C(=O)CCC4=C3CCCC4=O)CC2)nc(C)n1.Cc1cc(N2CCN(CN3C(=O)CCC4=C3CCCC4)CC2)nc(C)n1.Cc1cc(N2CCN(CN3C(=O)CCC4=C3CCCC4=O)CC2)nc(C)n1.
What is the InChIKey of 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is AHVDOASDXYFGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2.C21H31N5O.C20H27N5O2.C20H29N5O/c1-15-13-20(23-16(2)22-15)25-10-4-9-24(11-12-25)14-26-18-5-3-6-19(27)17(18)7-8-21(26)28;1-16-14-20(23-17(2)22-16)25-11-5-10-24(12-13-25)15-26-19-7-4-3-6-18(19)8-9-21(26)27;1-14-12-19(22-15(2)21-14)24-10-8-23(9-11-24)13-25-17-4-3-5-18(26)16(17)6-7-20(25)27;1-15-13-19(22-16(2)21-15)24-11-9-23(10-12-24)14-25-18-6-4-3-5-17(18)7-8-20(25)26/h13H,3-12,14H2,1-2H3;14H,3-13,15H2,1-2H3;12H,3-11,13H2,1-2H3;13H,3-12,14H2,1-2H3.
What are the key properties of 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 1477.96 g/mol, XLogP of 9.63, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3,4,5,6,7,8-hexahydroquinolin-2-one;1-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 157119734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).