(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate

C24H29N3O4 — CID 57420171

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate
SMILESCOc1ccccc1N1CCN(CCCC(=O)Oc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C24H29N3O4/c1-30-22-6-3-2-5-21(22)27-15-13-26(14-16-27)12-4-7-24(29)31-19-10-8-18-9-11-23(28)25-20(18)17-19/h2-3,5-6,8,10,17H,4,7,9,11-16H2,1H3,(H,25,28)
InChIKeyNVNMFROQWZTJRL-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.09
Rot. Bonds7

About (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate

(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate (PubChem CID 57420171) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate
PubChem CID57420171
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate
SMILESCOc1ccccc1N1CCN(CCCC(=O)Oc2ccc3c(c2)NC(=O)CC3)CC1
InChIInChI=1S/C24H29N3O4/c1-30-22-6-3-2-5-21(22)27-15-13-26(14-16-27)12-4-7-24(29)31-19-10-8-18-9-11-23(28)25-20(18)17-19/h2-3,5-6,8,10,17H,4,7,9,11-16H2,1H3,(H,25,28)
InChIKeyNVNMFROQWZTJRL-UHFFFAOYSA-N
XLogP3.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

7-(4-bromobutoxy)-3,4-dihydro-1H-naphthalen-2-one;1-(2-methoxyphenyl)piperazine;7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 157197160
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
3-methyl-2-[[2-[2-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]phenoxy]acetyl]amino]butanoic acid
CID 68570533
acetic acid;7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11577060
7-[4-[4-[2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66633428
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
7-[4-[4-(4-methoxy-1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 25151017
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;phenylphosphane
CID 174534037
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14289489
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
7-[3-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 58807602

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate (CID 57420171) is (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate is COc1ccccc1N1CCN(CCCC(=O)Oc2ccc3c(c2)NC(=O)CC3)CC1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate?
The InChIKey is NVNMFROQWZTJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-30-22-6-3-2-5-21(22)27-15-13-26(14-16-27)12-4-7-24(29)31-19-10-8-18-9-11-23(28)25-20(18)17-19/h2-3,5-6,8,10,17H,4,7,9,11-16H2,1H3,(H,25,28).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate?
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate has a molecular weight of 423.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-7-yl) 4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 57420171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).