2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide

C24H24Cl2N4O2 — CID 55740337

IUPAC2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-16(28-23(31)19-8-3-9-20(25)21(19)26)24(32)30-13-11-29(12-14-30)15-18-6-2-5-17-7-4-10-27-22(17)18/h2-10,16H,11-15H2,1H3,(H,28,31)
InChIKeyUXMSHLSPIBPCJD-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.00
Rot. Bonds5

About 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide

2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide (PubChem CID 55740337) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
PubChem CID55740337
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C24H24Cl2N4O2/c1-16(28-23(31)19-8-3-9-20(25)21(19)26)24(32)30-13-11-29(12-14-30)15-18-6-2-5-17-7-4-10-27-22(17)18/h2-10,16H,11-15H2,1H3,(H,28,31)
InChIKeyUXMSHLSPIBPCJD-UHFFFAOYSA-N
XLogP4.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55832874
N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86903665
2,3-dichloro-N-[1-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55789667
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
2,3-dichloro-N-[1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55791792
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
2,3-dichloro-N-[1-[4-(1-cyano-2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 56586104
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189
(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide (CID 55740337) is 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
The InChIKey is UXMSHLSPIBPCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-16(28-23(31)19-8-3-9-20(25)21(19)26)24(32)30-13-11-29(12-14-30)15-18-6-2-5-17-7-4-10-27-22(17)18/h2-10,16H,11-15H2,1H3,(H,28,31).
What are the key properties of 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide?
2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide has a molecular weight of 471.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 55740337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).