7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride

C28H26Cl4N4O2 — CID 160849468

IUPAC7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride
SMILESCl.NCCC(=O)N1CCN(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C28H25Cl3N4O2.ClH/c29-22-5-2-1-4-19(22)21-16-18(33-12-14-34(15-13-33)26(36)10-11-32)17-25-20(21)8-9-27(37)35(25)28-23(30)6-3-7-24(28)31;/h1-9,16-17H,10-15,32H2;1H
InChIKeyACRPQCMGVANNST-UHFFFAOYSA-N
MW592.35 g/mol
LogP6.04
Rot. Bonds5

About 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride

7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride (PubChem CID 160849468) has the molecular formula C28H26Cl4N4O2 and a molecular weight of 592.35 g/mol. Its IUPAC name is 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride
PubChem CID160849468
Molecular FormulaC28H26Cl4N4O2
Molecular Weight592.35 g/mol
Exact Mass590.08
IUPAC Name7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride
SMILESCl.NCCC(=O)N1CCN(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1
InChIInChI=1S/C28H25Cl3N4O2.ClH/c29-22-5-2-1-4-19(22)21-16-18(33-12-14-34(15-13-33)26(36)10-11-32)17-25-20(21)8-9-27(37)35(25)28-23(30)6-3-7-24(28)31;/h1-9,16-17H,10-15,32H2;1H
InChIKeyACRPQCMGVANNST-UHFFFAOYSA-N
XLogP6.04
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.35
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride with MolForge

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Related Compounds

3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
(5E)-5-[[2-[4-(3-aminopropanoyl)piperazin-1-yl]-3-chlorophenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 87386794
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
5-[[2-[4-(3-aminopropanoyl)piperazin-1-yl]-3-chlorophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 76782216
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride?
The IUPAC name of 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride (CID 160849468) is 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride.
What is the SMILES notation for 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride?
The canonical SMILES for 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride is Cl.NCCC(=O)N1CCN(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1.
What is the InChIKey of 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride?
The InChIKey is ACRPQCMGVANNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl3N4O2.ClH/c29-22-5-2-1-4-19(22)21-16-18(33-12-14-34(15-13-33)26(36)10-11-32)17-25-20(21)8-9-27(37)35(25)28-23(30)6-3-7-24(28)31;/h1-9,16-17H,10-15,32H2;1H.
What are the key properties of 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride?
7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride has a molecular weight of 592.35 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-aminopropanoyl)piperazin-1-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one;hydrochloride is sourced from PubChem (CID 160849468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).