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

C24H24N4O5 — CID 154175332

IUPACphenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
SMILESCOc1c(C(N)=O)c(CC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C24H24N4O5/c1-32-22-17-9-5-6-10-18(17)26-19(21(22)23(25)30)15-20(29)27-11-13-28(14-12-27)24(31)33-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H2,25,30)
InChIKeyHHSMPRGFBRIJPP-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.23
Rot. Bonds5

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

phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate (PubChem CID 154175332) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
PubChem CID154175332
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Namephenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
SMILESCOc1c(C(N)=O)c(CC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C24H24N4O5/c1-32-22-17-9-5-6-10-18(17)26-19(21(22)23(25)30)15-20(29)27-11-13-28(14-12-27)24(31)33-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H2,25,30)
InChIKeyHHSMPRGFBRIJPP-UHFFFAOYSA-N
XLogP2.23
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 154187740
2-[4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazin-1-yl]acetic acid
CID 154132170
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxylate
CID 110803602
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
phenyl 4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809201
phenyl 4-(3,5-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110365696
phenyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567480
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
phenyl 4-[3-(diethylamino)propanoyl]piperazine-1-carboxylate
CID 110603452
phenyl 11-chloro-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-3-carboxylate
CID 54436714

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate (CID 154175332) is phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate is COc1c(C(N)=O)c(CC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is HHSMPRGFBRIJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-32-22-17-9-5-6-10-18(17)26-19(21(22)23(25)30)15-20(29)27-11-13-28(14-12-27)24(31)33-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H2,25,30).
What are the key properties of phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate?
phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[2-(3-carbamoyl-4-methoxyquinolin-2-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 154175332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).