5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

C25H33ClN4O2 — CID 30577313

IUPAC5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1
InChIInChI=1S/C25H33ClN4O2/c1-28-11-13-30(14-12-28)23(19-6-8-22-18(15-19)5-4-10-29(22)2)17-27-25(31)21-16-20(26)7-9-24(21)32-3/h6-9,15-16,23H,4-5,10-14,17H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyORNACLMLSVHBBQ-QHCPKHFHSA-N
MW457.02 g/mol
LogP3.45
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 30577313) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID30577313
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1
InChIInChI=1S/C25H33ClN4O2/c1-28-11-13-30(14-12-28)23(19-6-8-22-18(15-19)5-4-10-29(22)2)17-27-25(31)21-16-20(26)7-9-24(21)32-3/h6-9,15-16,23H,4-5,10-14,17H2,1-3H3,(H,27,31)/t23-/m0/s1
InChIKeyORNACLMLSVHBBQ-QHCPKHFHSA-N
XLogP3.45
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 16810755
4-chloro-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30577264
2,3-dimethoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 51641015
2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30577498
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 30578000
N-ethyl-N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30577985
N'-(2-methoxy-5-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 41234158
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985116
3-chloro-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]benzamide
CID 40948864
4-ethoxy-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30577403
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-propyloxamide
CID 30577631
N'-(2-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40955890

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 30577313) is 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is ORNACLMLSVHBBQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-28-11-13-30(14-12-28)23(19-6-8-22-18(15-19)5-4-10-29(22)2)17-27-25(31)21-16-20(26)7-9-24(21)32-3/h6-9,15-16,23H,4-5,10-14,17H2,1-3H3,(H,27,31)/t23-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 457.02 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 30577313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).