3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one

C22H31N3O2 — CID 110629324

IUPAC3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CCC(=O)N3CCN(CC(C)(C)C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H31N3O2/c1-16-5-6-17-14-18(21(27)23-19(17)13-16)7-8-20(26)25-11-9-24(10-12-25)15-22(2,3)4/h5-6,13-14H,7-12,15H2,1-4H3,(H,23,27)
InChIKeyIORHIYXJSJDWRT-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.96
Rot. Bonds4

About 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one

3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one (PubChem CID 110629324) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
PubChem CID110629324
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CCC(=O)N3CCN(CC(C)(C)C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H31N3O2/c1-16-5-6-17-14-18(21(27)23-19(17)13-16)7-8-20(26)25-11-9-24(10-12-25)15-22(2,3)4/h5-6,13-14H,7-12,15H2,1-4H3,(H,23,27)
InChIKeyIORHIYXJSJDWRT-UHFFFAOYSA-N
XLogP2.96
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 53174835
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 170864276
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one (CID 110629324) is 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CCC(=O)N3CCN(CC(C)(C)C)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is IORHIYXJSJDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16-5-6-17-14-18(21(27)23-19(17)13-16)7-8-20(26)25-11-9-24(10-12-25)15-22(2,3)4/h5-6,13-14H,7-12,15H2,1-4H3,(H,23,27).
What are the key properties of 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 110629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).