3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

C20H29N3O — CID 56719778

IUPAC3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCCC1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CCN1C(C)C
InChIInChI=1S/C20H29N3O/c1-5-18-13-22(8-9-23(18)14(2)3)12-17-11-16-10-15(4)6-7-19(16)21-20(17)24/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,21,24)
InChIKeyTXKRXUBLQXOTMZ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.14
Rot. Bonds4

About 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 56719778) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID56719778
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCCC1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CCN1C(C)C
InChIInChI=1S/C20H29N3O/c1-5-18-13-22(8-9-23(18)14(2)3)12-17-11-16-10-15(4)6-7-19(16)21-20(17)24/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,21,24)
InChIKeyTXKRXUBLQXOTMZ-UHFFFAOYSA-N
XLogP3.14
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
3-[[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 70740281
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
3-[(3-hydroxy-3-phenylpyrrolidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 56710630
6-ethyl-3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363280
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
6-methyl-3-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56702126
6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95190113
3-[[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56748014

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 56719778) is 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is CCC1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CCN1C(C)C.
What is the InChIKey of 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is TXKRXUBLQXOTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-5-18-13-22(8-9-23(18)14(2)3)12-17-11-16-10-15(4)6-7-19(16)21-20(17)24/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,21,24).
What are the key properties of 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 327.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-4-propan-2-ylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 56719778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).