[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate

C19H23N3O4 — CID 2103211

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1CC
InChIInChI=1S/C19H23N3O4/c1-4-8-14-12(5-2)16(13-9-6-7-10-15(13)21-14)18(24)26-11(3)17(23)22-19(20)25/h6-7,9-11H,4-5,8H2,1-3H3,(H3,20,22,23,25)/t11-/m1/s1
InChIKeyYPVXLGQPWAJZSX-LLVKDONJSA-N
MW357.41 g/mol
LogP2.49
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 2103211) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID2103211
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1CC
InChIInChI=1S/C19H23N3O4/c1-4-8-14-12(5-2)16(13-9-6-7-10-15(13)21-14)18(24)26-11(3)17(23)22-19(20)25/h6-7,9-11H,4-5,8H2,1-3H3,(H3,20,22,23,25)/t11-/m1/s1
InChIKeyYPVXLGQPWAJZSX-LLVKDONJSA-N
XLogP2.49
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2632086
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 3941582
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2638405
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786573
[2-(2-bromoanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23770399
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23762011
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2436151
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 3876698
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 4535670
[1-(carbamoylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 3388665
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468177

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate (CID 2103211) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)NC(N)=O)c1CC.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is YPVXLGQPWAJZSX-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-8-14-12(5-2)16(13-9-6-7-10-15(13)21-14)18(24)26-11(3)17(23)22-19(20)25/h6-7,9-11H,4-5,8H2,1-3H3,(H3,20,22,23,25)/t11-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 2103211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).