6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C21H27N5O3S — CID 26539800

IUPAC6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H27N5O3S/c1-14(2)21-22-15(3)12-19(24-21)25-8-10-26(11-9-25)30(28,29)17-5-6-18-16(13-17)4-7-20(27)23-18/h5-6,12-14H,4,7-11H2,1-3H3,(H,23,27)
InChIKeyPWGOBLBDJIIDDO-UHFFFAOYSA-N
MW429.55 g/mol
LogP2.30
Rot. Bonds4

About 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 26539800) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID26539800
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H27N5O3S/c1-14(2)21-22-15(3)12-19(24-21)25-8-10-26(11-9-25)30(28,29)17-5-6-18-16(13-17)4-7-20(27)23-18/h5-6,12-14H,4,7-11H2,1-3H3,(H,23,27)
InChIKeyPWGOBLBDJIIDDO-UHFFFAOYSA-N
XLogP2.30
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342567
6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122334820
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122339407
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122335395
6-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342159
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 17455626
4-[4-(4-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 39626348
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 26539789

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 26539800) is 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc(C(C)C)n1.
What is the InChIKey of 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PWGOBLBDJIIDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-14(2)21-22-15(3)12-19(24-21)25-8-10-26(11-9-25)30(28,29)17-5-6-18-16(13-17)4-7-20(27)23-18/h5-6,12-14H,4,7-11H2,1-3H3,(H,23,27).
What are the key properties of 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 429.55 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 26539800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).