tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate

C18H25N3O3 — CID 59732047

IUPACtert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-10-8-20(9-11-21)15-12-13-6-4-5-7-14(13)19-16(15)22/h4-7,15H,8-12H2,1-3H3,(H,19,22)
InChIKeyRTPXCHWAGNPIHT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate

tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate (PubChem CID 59732047) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate
PubChem CID59732047
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-10-8-20(9-11-21)15-12-13-6-4-5-7-14(13)19-16(15)22/h4-7,15H,8-12H2,1-3H3,(H,19,22)
InChIKeyRTPXCHWAGNPIHT-UHFFFAOYSA-N
XLogP2.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)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

Related Compounds

tert-butyl (3R)-3-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]piperidine-1-carboxylate
CID 124907780
tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
CID 57049298
tert-butyl 4-[(7S)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]piperazine-1-carboxylate
CID 67986525
tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
CID 166638581
tert-butyl (9aR)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 97111995
tert-butyl 5-oxo-1,2,4,4a,6,7-hexahydropyrazino[1,2-a][1,4]benzodiazepine-3-carboxylate
CID 54671245
tert-butyl (4aS)-6-oxo-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,5]benzodiazepine-3-carboxylate
CID 67247695
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
tert-butyl (8aR)-8-oxo-1,3,4,6,7,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 129371606
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
bromomethane;tert-butyl 6-oxo-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,5]benzodiazepine-3-carboxylate
CID 90781891
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139008558

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate (CID 59732047) is tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate?
The InChIKey is RTPXCHWAGNPIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)24-17(23)21-10-8-20(9-11-21)15-12-13-6-4-5-7-14(13)19-16(15)22/h4-7,15H,8-12H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate?
tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 59732047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).