N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide

C20H28N4O3 — CID 110812477

IUPACN-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide
SMILESCN1C(=O)CCc2cc(C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)ccc21
InChIInChI=1S/C20H28N4O3/c1-20(2,3)21-19(27)24-11-9-23(10-12-24)18(26)15-5-7-16-14(13-15)6-8-17(25)22(16)4/h5,7,13H,6,8-12H2,1-4H3,(H,21,27)
InChIKeyIOFKNTFYTDFZEE-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.86
Rot. Bonds1

About N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide

N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide (PubChem CID 110812477) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide
PubChem CID110812477
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide
SMILESCN1C(=O)CCc2cc(C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)ccc21
InChIInChI=1S/C20H28N4O3/c1-20(2,3)21-19(27)24-11-9-23(10-12-24)18(26)15-5-7-16-14(13-15)6-8-17(25)22(16)4/h5,7,13H,6,8-12H2,1-4H3,(H,21,27)
InChIKeyIOFKNTFYTDFZEE-UHFFFAOYSA-N
XLogP1.86
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812476
6-[4-(3,3-dimethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110803968
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepane-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110807340
1-methyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 52986183
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110801759
1-methyl-6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 110809890
6-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 110640755
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813511
1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydroquinolin-2-one
CID 110383937
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
N-tert-butyl-4-(3,4-dichlorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811531

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide (CID 110812477) is N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide is CN1C(=O)CCc2cc(C(=O)N3CCN(C(=O)NC(C)(C)C)CC3)ccc21.
What is the InChIKey of N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide?
The InChIKey is IOFKNTFYTDFZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)21-19(27)24-11-9-23(10-12-24)18(26)15-5-7-16-14(13-15)6-8-17(25)22(16)4/h5,7,13H,6,8-12H2,1-4H3,(H,21,27).
What are the key properties of N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide?
N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).