[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C21H21N3O4 — CID 135797631

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESC[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C21H21N3O4/c1-14(15-7-3-2-4-8-15)22-19(25)13-28-20(26)12-11-18-23-17-10-6-5-9-16(17)21(27)24-18/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24,27)/t14-/m1/s1
InChIKeyDGPUUVOAIYAOPM-CQSZACIVSA-N
MW379.42 g/mol
LogP2.28
Rot. Bonds7

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135797631) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135797631
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESC[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C21H21N3O4/c1-14(15-7-3-2-4-8-15)22-19(25)13-28-20(26)12-11-18-23-17-10-6-5-9-16(17)21(27)24-18/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24,27)/t14-/m1/s1
InChIKeyDGPUUVOAIYAOPM-CQSZACIVSA-N
XLogP2.28
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135700118
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135560856
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135452342
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135817011
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831890
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 136743264
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831597
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831596
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135562080
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135797631) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is C[C@@H](NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is DGPUUVOAIYAOPM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(15-7-3-2-4-8-15)22-19(25)13-28-20(26)12-11-18-23-17-10-6-5-9-16(17)21(27)24-18/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24,27)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 379.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135797631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).