benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate

C25H26N4O5 — CID 154187740

IUPACbenzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
SMILESCOc1c(C(N)=O)c(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H26N4O5/c1-33-23-18-9-5-6-10-19(18)27-20(22(23)24(26)31)15-21(30)28-11-13-29(14-12-28)25(32)34-16-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,26,31)
InChIKeyPXTWMXLPDHXKOH-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.37
Rot. Bonds6

About benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate

benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate (PubChem CID 154187740) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
PubChem CID154187740
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Namebenzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
SMILESCOc1c(C(N)=O)c(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H26N4O5/c1-33-23-18-9-5-6-10-19(18)27-20(22(23)24(26)31)15-21(30)28-11-13-29(14-12-28)25(32)34-16-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,26,31)
InChIKeyPXTWMXLPDHXKOH-UHFFFAOYSA-N
XLogP2.37
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 154175332
2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid
CID 154132170
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
CID 59527580
benzyl 4-[(4-methoxyphenyl)methyl]-4-(trideuteriomethyl)piperazin-4-ium-1-carboxylate
CID 164745387
benzyl 4-(1-amino-2-methyl-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 122428094
benzyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567498
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(2-thiophen-2-ylacetyl)-1,4-diazepane-1-carboxylate
CID 110798615
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
benzyl 4-(2-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 23077829

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate (CID 154187740) is benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate is COc1c(C(N)=O)c(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is PXTWMXLPDHXKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-33-23-18-9-5-6-10-19(18)27-20(22(23)24(26)31)15-21(30)28-11-13-29(14-12-28)25(32)34-16-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H2,26,31).
What are the key properties of benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 154187740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).