N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide

C30H32ClN3O4 — CID 11548305

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide
SMILESCC(Cc1cccc(CC(=O)NCCc2ccc(Cl)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C30H32ClN3O4/c1-19(33-18-27(36)24-9-11-26(35)30-25(24)10-12-28(37)34-30)15-21-3-2-4-22(16-21)17-29(38)32-14-13-20-5-7-23(31)8-6-20/h2-12,16,19,27,33,35-36H,13-15,17-18H2,1H3,(H,32,38)(H,34,37)/t19?,27-/m0/s1
InChIKeyREPXILTXTCILJC-NZVRHLSZSA-N
MW534.06 g/mol
LogP4.04
Rot. Bonds11

About N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide (PubChem CID 11548305) has the molecular formula C30H32ClN3O4 and a molecular weight of 534.06 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide
PubChem CID11548305
Molecular FormulaC30H32ClN3O4
Molecular Weight534.06 g/mol
Exact Mass533.21
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide
SMILESCC(Cc1cccc(CC(=O)NCCc2ccc(Cl)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C30H32ClN3O4/c1-19(33-18-27(36)24-9-11-26(35)30-25(24)10-12-28(37)34-30)15-21-3-2-4-22(16-21)17-29(38)32-14-13-20-5-7-23(31)8-6-20/h2-12,16,19,27,33,35-36H,13-15,17-18H2,1H3,(H,32,38)(H,34,37)/t19?,27-/m0/s1
InChIKeyREPXILTXTCILJC-NZVRHLSZSA-N
XLogP4.04
TPSA114.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 54.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-6-methylphenyl)methyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide
CID 11606239
ethane;3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]benzoic acid
CID 143112640
8-hydroxy-5-[1-hydroxy-2-[4-(3-hydroxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one;hydrochloride
CID 164617771
[1-[3-[4-[[2-[3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetyl]amino]butylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 68519838
8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131
N-[2-(4-ethylphenyl)ethyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetamide
CID 11214010
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one;2,3,4,5,6-pentahydroxyhexanoic acid
CID 53357398
8-hydroxy-5-[1-hydroxy-2-[4-(2-methoxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one
CID 164615126
4-[2-[[(2S)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoic acid
CID 118364118
5-[2-[1-[4-(2,2-difluoro-2-phenylethoxy)phenyl]propan-2-ylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 24771864
[1-[3-[[3-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]methylcarbamoyl]phenyl]methylamino]-3-oxopropyl]piperidin-4-yl] 2,2,2-trifluoroacetate
CID 142765330
2-[3-[(2R)-2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(5-chloro-2-hydroxyphenyl)methyl]acetamide
CID 69221187

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide (CID 11548305) is N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide is CC(Cc1cccc(CC(=O)NCCc2ccc(Cl)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?
The InChIKey is REPXILTXTCILJC-NZVRHLSZSA-N. The full InChI is InChI=1S/C30H32ClN3O4/c1-19(33-18-27(36)24-9-11-26(35)30-25(24)10-12-28(37)34-30)15-21-3-2-4-22(16-21)17-29(38)32-14-13-20-5-7-23(31)8-6-20/h2-12,16,19,27,33,35-36H,13-15,17-18H2,1H3,(H,32,38)(H,34,37)/t19?,27-/m0/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide has a molecular weight of 534.06 g/mol, XLogP of 4.04, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]acetamide is sourced from PubChem (CID 11548305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).