1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one

C28H33N3O4 — CID 42877941

IUPAC1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)COc2ccc3c(C)cc(=O)n(CC4CCC4)c3c2)CC1
InChIInChI=1S/C28H33N3O4/c1-20-16-27(32)31(18-21-6-5-7-21)25-17-22(10-11-23(20)25)35-19-28(33)30-14-12-29(13-15-30)24-8-3-4-9-26(24)34-2/h3-4,8-11,16-17,21H,5-7,12-15,18-19H2,1-2H3
InChIKeyRDXHRDRWAGTLSF-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.85
Rot. Bonds7

About 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one

1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one (PubChem CID 42877941) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one
PubChem CID42877941
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)COc2ccc3c(C)cc(=O)n(CC4CCC4)c3c2)CC1
InChIInChI=1S/C28H33N3O4/c1-20-16-27(32)31(18-21-6-5-7-21)25-17-22(10-11-23(20)25)35-19-28(33)30-14-12-29(13-15-30)24-8-3-4-9-26(24)34-2/h3-4,8-11,16-17,21H,5-7,12-15,18-19H2,1-2H3
InChIKeyRDXHRDRWAGTLSF-UHFFFAOYSA-N
XLogP3.85
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one
CID 42690372
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one
CID 42690353
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
1-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 2715491
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
7-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 9020059
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9334137
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612578

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one (CID 42877941) is 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one is COc1ccccc1N1CCN(C(=O)COc2ccc3c(C)cc(=O)n(CC4CCC4)c3c2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one?
The InChIKey is RDXHRDRWAGTLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-20-16-27(32)31(18-21-6-5-7-21)25-17-22(10-11-23(20)25)35-19-28(33)30-14-12-29(13-15-30)24-8-3-4-9-26(24)34-2/h3-4,8-11,16-17,21H,5-7,12-15,18-19H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one?
1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one has a molecular weight of 475.59 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one is sourced from PubChem (CID 42877941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).