tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate

C24H32N4O4 — CID 86892886

IUPACtert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N3CCN(Cc4ccco4)CC3)ccc21
InChIInChI=1S/C24H32N4O4/c1-24(2,3)32-23(30)28-10-4-6-18-16-19(8-9-21(18)28)25-22(29)27-13-11-26(12-14-27)17-20-7-5-15-31-20/h5,7-9,15-16H,4,6,10-14,17H2,1-3H3,(H,25,29)
InChIKeyWENNDOURENPOGF-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 86892886) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID86892886
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N3CCN(Cc4ccco4)CC3)ccc21
InChIInChI=1S/C24H32N4O4/c1-24(2,3)32-23(30)28-10-4-6-18-16-19(8-9-21(18)28)25-22(29)27-13-11-26(12-14-27)17-20-7-5-15-31-20/h5,7-9,15-16H,4,6,10-14,17H2,1-3H3,(H,25,29)
InChIKeyWENNDOURENPOGF-UHFFFAOYSA-N
XLogP4.32
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-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 N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103747948
dimethyl 5-[[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 3730921
tert-butyl 6-(azetidin-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107242293
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
tert-butyl 6-(oxolan-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103819032
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
tert-butyl 5-(oxan-3-ylamino)-2,3-dihydroindole-1-carboxylate
CID 75516887
4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 17379875
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 86892886) is tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)N3CCN(Cc4ccco4)CC3)ccc21.
What is the InChIKey of tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is WENNDOURENPOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-24(2,3)32-23(30)28-10-4-6-18-16-19(8-9-21(18)28)25-22(29)27-13-11-26(12-14-27)17-20-7-5-15-31-20/h5,7-9,15-16H,4,6,10-14,17H2,1-3H3,(H,25,29).
What are the key properties of tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 86892886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).