(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate

C16H18N2O3 — CID 42886576

IUPAC(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(C(C)C)nc2ccccc12)C(N)=O
InChIInChI=1S/C16H18N2O3/c1-9(2)14-8-12(16(20)21-10(3)15(17)19)11-6-4-5-7-13(11)18-14/h4-10H,1-3H3,(H2,17,19)
InChIKeyPNTWWVOSKPQMEV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.39
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate

(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate (PubChem CID 42886576) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
PubChem CID42886576
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(C(C)C)nc2ccccc12)C(N)=O
InChIInChI=1S/C16H18N2O3/c1-9(2)14-8-12(16(20)21-10(3)15(17)19)11-6-4-5-7-13(11)18-14/h4-10H,1-3H3,(H2,17,19)
InChIKeyPNTWWVOSKPQMEV-UHFFFAOYSA-N
XLogP2.39
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55481598
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 46626383
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55477096
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 27803201
[1-(2-nitroanilino)-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55394565
3-cyanopropyl 2-propan-2-ylquinoline-4-carboxylate
CID 46675585
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 18199717
(4-acetylphenyl) 2-propan-2-ylquinoline-4-carboxylate
CID 16562571

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate (CID 42886576) is (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate is CC(OC(=O)c1cc(C(C)C)nc2ccccc12)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate?
The InChIKey is PNTWWVOSKPQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)14-8-12(16(20)21-10(3)15(17)19)11-6-4-5-7-13(11)18-14/h4-10H,1-3H3,(H2,17,19).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate?
(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 42886576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).