[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate

C23H23N3O4 — CID 55481598

IUPAC[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(C(C)C)nc2ccccc12)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-14(2)20-13-18(17-11-7-8-12-19(17)25-20)22(28)30-15(3)21(27)26-23(29)24-16-9-5-4-6-10-16/h4-15H,1-3H3,(H2,24,26,27,29)
InChIKeyVQRLOAMIEZYUHG-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.25
Rot. Bonds5

About [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate (PubChem CID 55481598) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
PubChem CID55481598
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(C(C)C)nc2ccccc12)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-14(2)20-13-18(17-11-7-8-12-19(17)25-20)22(28)30-15(3)21(27)26-23(29)24-16-9-5-4-6-10-16/h4-15H,1-3H3,(H2,24,26,27,29)
InChIKeyVQRLOAMIEZYUHG-UHFFFAOYSA-N
XLogP4.25
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
CID 42886576
[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009541
[1-(2-nitroanilino)-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55394565
[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-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 27803201
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 6914942
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009567
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7985214

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate?
The IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate (CID 55481598) is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate?
The canonical SMILES for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate is CC(OC(=O)c1cc(C(C)C)nc2ccccc12)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate?
The InChIKey is VQRLOAMIEZYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-14(2)20-13-18(17-11-7-8-12-19(17)25-20)22(28)30-15(3)21(27)26-23(29)24-16-9-5-4-6-10-16/h4-15H,1-3H3,(H2,24,26,27,29).
What are the key properties of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate?
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2-propan-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 55481598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).