3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one

C20H25N3O2 — CID 110363318

IUPAC3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCN(C(=O)C4CC4)CC3)c(=O)[nH]c2c1C
InChIInChI=1S/C20H25N3O2/c1-13-3-4-16-11-17(19(24)21-18(16)14(13)2)12-22-7-9-23(10-8-22)20(25)15-5-6-15/h3-4,11,15H,5-10,12H2,1-2H3,(H,21,24)
InChIKeyOAZQOLNZXZGMAC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.20
Rot. Bonds3

About 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 110363318) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID110363318
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CN3CCN(C(=O)C4CC4)CC3)c(=O)[nH]c2c1C
InChIInChI=1S/C20H25N3O2/c1-13-3-4-16-11-17(19(24)21-18(16)14(13)2)12-22-7-9-23(10-8-22)20(25)15-5-6-15/h3-4,11,15H,5-10,12H2,1-2H3,(H,21,24)
InChIKeyOAZQOLNZXZGMAC-UHFFFAOYSA-N
XLogP2.20
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
3-[[4-(4-hydroxypiperidin-1-yl)anilino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 11625042
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 56702172
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 857193
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 110363318) is 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(CN3CCN(C(=O)C4CC4)CC3)c(=O)[nH]c2c1C.
What is the InChIKey of 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is OAZQOLNZXZGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-3-4-16-11-17(19(24)21-18(16)14(13)2)12-22-7-9-23(10-8-22)20(25)15-5-6-15/h3-4,11,15H,5-10,12H2,1-2H3,(H,21,24).
What are the key properties of 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 110363318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).