[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

C23H25N3O4 — CID 8996511

IUPAC[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H25N3O4/c1-14(20(27)25-23(3,4)5)30-22(29)16-10-12-17(13-11-16)26-15(2)24-19-9-7-6-8-18(19)21(26)28/h6-14H,1-5H3,(H,25,27)/t14-/m1/s1
InChIKeyURMZWTHUKFGLJH-CQSZACIVSA-N
MW407.47 g/mol
LogP3.15
Rot. Bonds4

About [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (PubChem CID 8996511) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.

Molecular Properties

Compound Name[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
PubChem CID8996511
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H25N3O4/c1-14(20(27)25-23(3,4)5)30-22(29)16-10-12-17(13-11-16)26-15(2)24-19-9-7-6-8-18(19)21(26)28/h6-14H,1-5H3,(H,25,27)/t14-/m1/s1
InChIKeyURMZWTHUKFGLJH-CQSZACIVSA-N
XLogP3.15
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate with MolForge

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Related Compounds

ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 55367536
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 71910593
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
N-tert-butyl-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 84880650
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46565875
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86878908

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The IUPAC name of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate (CID 8996511) is [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate.
What is the SMILES notation for [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The canonical SMILES for [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
The InChIKey is URMZWTHUKFGLJH-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(20(27)25-23(3,4)5)30-22(29)16-10-12-17(13-11-16)26-15(2)24-19-9-7-6-8-18(19)21(26)28/h6-14H,1-5H3,(H,25,27)/t14-/m1/s1.
What are the key properties of [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate?
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate has a molecular weight of 407.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate is sourced from PubChem (CID 8996511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).