[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate

C19H17N3O4 — CID 7995099

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESC[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O4/c1-13(18(24)21-14-7-3-2-4-8-14)26-17(23)11-22-12-20-16-10-6-5-9-15(16)19(22)25/h2-10,12-13H,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyPIFIFEXTUXZSLD-ZDUSSCGKSA-N
MW351.36 g/mol
LogP1.97
Rot. Bonds5

About [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995099) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995099
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESC[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O4/c1-13(18(24)21-14-7-3-2-4-8-14)26-17(23)11-22-12-20-16-10-6-5-9-15(16)19(22)25/h2-10,12-13H,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyPIFIFEXTUXZSLD-ZDUSSCGKSA-N
XLogP1.97
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995194
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7994832
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18269553
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995179
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 55321089
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995034
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995147
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995064
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55463148
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995099) is [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate is C[C@H](OC(=O)Cn1cnc2ccccc2c1=O)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is PIFIFEXTUXZSLD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13(18(24)21-14-7-3-2-4-8-14)26-17(23)11-22-12-20-16-10-6-5-9-15(16)19(22)25/h2-10,12-13H,11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 351.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).