tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate

C17H24N2O3 — CID 51117436

IUPACtert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCC1CC(C(N)=O)c2ccccc2N1CC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-11-9-13(16(18)21)12-7-5-6-8-14(12)19(11)10-15(20)22-17(2,3)4/h5-8,11,13H,9-10H2,1-4H3,(H2,18,21)
InChIKeyRKAWYKWBBRPMJS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate

tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate (PubChem CID 51117436) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
PubChem CID51117436
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
SMILESCC1CC(C(N)=O)c2ccccc2N1CC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-11-9-13(16(18)21)12-7-5-6-8-14(12)19(11)10-15(20)22-17(2,3)4/h5-8,11,13H,9-10H2,1-4H3,(H2,18,21)
InChIKeyRKAWYKWBBRPMJS-UHFFFAOYSA-N
XLogP2.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate (CID 51117436) is tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate is CC1CC(C(N)=O)c2ccccc2N1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate?
The InChIKey is RKAWYKWBBRPMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-9-13(16(18)21)12-7-5-6-8-14(12)19(11)10-15(20)22-17(2,3)4/h5-8,11,13H,9-10H2,1-4H3,(H2,18,21).
What are the key properties of tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate?
tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate has a molecular weight of 304.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate is sourced from PubChem (CID 51117436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).