[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate

C19H24N2O3 — CID 31543502

IUPAC[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)NCC(C)C)c2c1
InChIInChI=1S/C19H24N2O3/c1-11(2)10-20-18(22)14(5)24-19(23)16-9-13(4)21-17-7-6-12(3)8-15(16)17/h6-9,11,14H,10H2,1-5H3,(H,20,22)/t14-/m1/s1
InChIKeyNZESAXFZDSPFOT-CQSZACIVSA-N
MW328.41 g/mol
LogP3.17
Rot. Bonds5

About [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate

[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate (PubChem CID 31543502) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
PubChem CID31543502
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)NCC(C)C)c2c1
InChIInChI=1S/C19H24N2O3/c1-11(2)10-20-18(22)14(5)24-19(23)16-9-13(4)21-17-7-6-12(3)8-15(16)17/h6-9,11,14H,10H2,1-5H3,(H,20,22)/t14-/m1/s1
InChIKeyNZESAXFZDSPFOT-CQSZACIVSA-N
XLogP3.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(tert-butylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 18091676
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 18091686
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959112
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 42894307
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 7648461
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
phenyl 2,6-dimethylquinoline-4-carboxylate
CID 18076219
2-O-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-O-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 8884003

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate (CID 31543502) is [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)NCC(C)C)c2c1.
What is the InChIKey of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is NZESAXFZDSPFOT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11(2)10-20-18(22)14(5)24-19(23)16-9-13(4)21-17-7-6-12(3)8-15(16)17/h6-9,11,14H,10H2,1-5H3,(H,20,22)/t14-/m1/s1.
What are the key properties of [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate?
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 31543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).