3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one

C19H25N3O2 — CID 53174689

IUPAC3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
SMILESCCN1CCN(C(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1
InChIInChI=1S/C19H25N3O2/c1-3-21-8-10-22(11-9-21)18(23)7-5-15-13-16-12-14(2)4-6-17(16)20-19(15)24/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,20,24)
InChIKeyDMMUULHHEMKGGV-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.93
Rot. Bonds4

About 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one

3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one (PubChem CID 53174689) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
PubChem CID53174689
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
SMILESCCN1CCN(C(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1
InChIInChI=1S/C19H25N3O2/c1-3-21-8-10-22(11-9-21)18(23)7-5-15-13-16-12-14(2)4-6-17(16)20-19(15)24/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,20,24)
InChIKeyDMMUULHHEMKGGV-UHFFFAOYSA-N
XLogP1.93
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
CID 53174771
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 53174835
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
1-(4-ethylpiperazin-1-yl)-2-(5-methyl-1H-indol-2-yl)propan-1-one
CID 135015911

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one (CID 53174689) is 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one is CCN1CCN(C(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is DMMUULHHEMKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-21-8-10-22(11-9-21)18(23)7-5-15-13-16-12-14(2)4-6-17(16)20-19(15)24/h4,6,12-13H,3,5,7-11H2,1-2H3,(H,20,24).
What are the key properties of 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one?
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 327.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 53174689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).