[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate

C20H19N3O4 — CID 25437012

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESC[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-14(15-7-3-2-4-8-15)22-18(24)12-27-19(25)11-23-13-21-17-10-6-5-9-16(17)20(23)26/h2-10,13-14H,11-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyFPSGQTXRBCCLBB-AWEZNQCLSA-N
MW365.39 g/mol
LogP1.82
Rot. Bonds6

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 25437012) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID25437012
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESC[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-14(15-7-3-2-4-8-15)22-18(24)12-27-19(25)11-23-13-21-17-10-6-5-9-16(17)20(23)26/h2-10,13-14H,11-12H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyFPSGQTXRBCCLBB-AWEZNQCLSA-N
XLogP1.82
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995429
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18279717
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792839

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 25437012) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate is C[C@H](NC(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is FPSGQTXRBCCLBB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14(15-7-3-2-4-8-15)22-18(24)12-27-19(25)11-23-13-21-17-10-6-5-9-16(17)20(23)26/h2-10,13-14H,11-12H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 365.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 25437012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).