tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate

C20H26N4O4 — CID 6490345

IUPACtert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate
SMILESCc1cccc2c(=O)c(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12
InChIInChI=1S/C20H26N4O4/c1-13-6-5-7-14-16(13)21-12-15(17(14)25)22-18(26)23-8-10-24(11-9-23)19(27)28-20(2,3)4/h5-7,12H,8-11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyPPVIOSWKSSZQRB-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.92
Rot. Bonds1

About tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 6490345) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate
PubChem CID6490345
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nametert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate
SMILESCc1cccc2c(=O)c(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12
InChIInChI=1S/C20H26N4O4/c1-13-6-5-7-14-16(13)21-12-15(17(14)25)22-18(26)23-8-10-24(11-9-23)19(27)28-20(2,3)4/h5-7,12H,8-11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyPPVIOSWKSSZQRB-UHFFFAOYSA-N
XLogP2.92
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate (CID 6490345) is tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate is Cc1cccc2c(=O)c(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c12.
What is the InChIKey of tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is PPVIOSWKSSZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-6-5-7-14-16(13)21-12-15(17(14)25)22-18(26)23-8-10-24(11-9-23)19(27)28-20(2,3)4/h5-7,12H,8-11H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate?
tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(8-methyl-4-oxo-1H-quinolin-3-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 6490345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).