methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate

C20H25N3O4 — CID 167782706

IUPACmethyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)N1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1
InChIInChI=1S/C20H25N3O4/c1-13-5-6-16-14(11-13)17(24)15(12-21-16)18(25)22-7-9-23(10-8-22)20(2,3)19(26)27-4/h5-6,11-12H,7-10H2,1-4H3,(H,21,24)
InChIKeyACLFJQZQWGOJJI-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate

methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate (PubChem CID 167782706) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate
PubChem CID167782706
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namemethyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)N1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1
InChIInChI=1S/C20H25N3O4/c1-13-5-6-16-14(11-13)17(24)15(12-21-16)18(25)22-7-9-23(10-8-22)20(2,3)19(26)27-4/h5-6,11-12H,7-10H2,1-4H3,(H,21,24)
InChIKeyACLFJQZQWGOJJI-UHFFFAOYSA-N
XLogP1.55
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate with MolForge

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Related Compounds

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285
6-methyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 136530275
3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 72875102
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-1H-quinoline-6-sulfinic acid
CID 130182397
6-bromo-3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 86789113
3-(3-methoxybenzoyl)-6-methyl-1H-quinolin-4-one
CID 4609633
N-(3-methoxyphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 15990593
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxy-1H-quinolin-4-one
CID 91638334
3-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)-4-phenyl-1,3-oxazolidin-2-one
CID 156780790
3-[4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 136512739
6-chloro-3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 91639767

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate (CID 167782706) is methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate is COC(=O)C(C)(C)N1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1.
What is the InChIKey of methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate?
The InChIKey is ACLFJQZQWGOJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-5-6-16-14(11-13)17(24)15(12-21-16)18(25)22-7-9-23(10-8-22)20(2,3)19(26)27-4/h5-6,11-12H,7-10H2,1-4H3,(H,21,24).
What are the key properties of methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate?
methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate has a molecular weight of 371.44 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-(6-methyl-4-oxo-1H-quinoline-3-carbonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 167782706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).