7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one

C20H27N3O2 — CID 53174829

IUPAC7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCCCN1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-3-8-22-9-11-23(12-10-22)19(24)7-6-17-14-16-5-4-15(2)13-18(16)21-20(17)25/h4-5,13-14H,3,6-12H2,1-2H3,(H,21,25)
InChIKeyMRGKQGJVVAVVTE-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.32
Rot. Bonds5

About 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one

7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one (PubChem CID 53174829) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
PubChem CID53174829
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCCCN1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-3-8-22-9-11-23(12-10-22)19(24)7-6-17-14-16-5-4-15(2)13-18(16)21-20(17)25/h4-5,13-14H,3,6-12H2,1-2H3,(H,21,25)
InChIKeyMRGKQGJVVAVVTE-UHFFFAOYSA-N
XLogP2.32
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
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
7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 170864276
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
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one (CID 53174829) is 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one is CCCN1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1.
What is the InChIKey of 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The InChIKey is MRGKQGJVVAVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-8-22-9-11-23(12-10-22)19(24)7-6-17-14-16-5-4-15(2)13-18(16)21-20(17)25/h4-5,13-14H,3,6-12H2,1-2H3,(H,21,25).
What are the key properties of 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one is sourced from PubChem (CID 53174829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).