7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one

C29H35N3O3 — CID 42690353

IUPAC7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C29H35N3O3/c1-21(2)26-17-28(33)32(19-23-8-9-23)27-16-24(10-11-25(26)27)35-20-29(34)31-14-12-30(13-15-31)18-22-6-4-3-5-7-22/h3-7,10-11,16-17,21,23H,8-9,12-15,18-20H2,1-2H3
InChIKeyUCSLXDPVIVEAIQ-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.26
Rot. Bonds8

About 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one

7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one (PubChem CID 42690353) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one.

Molecular Properties

Compound Name7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one
PubChem CID42690353
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one
SMILESCC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C29H35N3O3/c1-21(2)26-17-28(33)32(19-23-8-9-23)27-16-24(10-11-25(26)27)35-20-29(34)31-14-12-30(13-15-31)18-22-6-4-3-5-7-22/h3-7,10-11,16-17,21,23H,8-9,12-15,18-20H2,1-2H3
InChIKeyUCSLXDPVIVEAIQ-UHFFFAOYSA-N
XLogP4.26
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one with MolForge

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Related Compounds

7-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-1-(cyclobutylmethyl)-4-propan-2-ylquinolin-2-one
CID 42690372
1-[(3-fluorophenyl)methyl]-7-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethoxy]-4-propan-2-ylquinolin-2-one
CID 42878022
1-(cyclobutylmethyl)-7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylquinolin-2-one
CID 42877941
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 42877975
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide
CID 126202811
1-(4-benzylpiperazin-1-yl)-2-(3-pentoxyphenoxy)ethanone
CID 4733260
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one?
The IUPAC name of 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one (CID 42690353) is 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one.
What is the SMILES notation for 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one?
The canonical SMILES for 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one is CC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)N3CCN(Cc4ccccc4)CC3)ccc12.
What is the InChIKey of 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one?
The InChIKey is UCSLXDPVIVEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-21(2)26-17-28(33)32(19-23-8-9-23)27-16-24(10-11-25(26)27)35-20-29(34)31-14-12-30(13-15-31)18-22-6-4-3-5-7-22/h3-7,10-11,16-17,21,23H,8-9,12-15,18-20H2,1-2H3.
What are the key properties of 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one?
7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one has a molecular weight of 473.62 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-1-(cyclopropylmethyl)-4-propan-2-ylquinolin-2-one is sourced from PubChem (CID 42690353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).