[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C22H23N3O4 — CID 55463532

IUPAC[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1ccc(CNC(=O)C(C)OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-14-7-9-17(10-8-14)11-23-21(27)16(3)29-19(26)12-25-13-24-20-15(2)5-4-6-18(20)22(25)28/h4-10,13,16H,11-12H2,1-3H3,(H,23,27)
InChIKeyLMUVJMARDCGXJD-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.26
Rot. Bonds6

About [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 55463532) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID55463532
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1ccc(CNC(=O)C(C)OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-14-7-9-17(10-8-14)11-23-21(27)16(3)29-19(26)12-25-13-24-20-15(2)5-4-6-18(20)22(25)28/h4-10,13,16H,11-12H2,1-3H3,(H,23,27)
InChIKeyLMUVJMARDCGXJD-UHFFFAOYSA-N
XLogP2.26
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55463148
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(9-oxoacridin-10-yl)acetate
CID 51479653
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958934
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995064
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 55463532) is [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is Cc1ccc(CNC(=O)C(C)OC(=O)Cn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is LMUVJMARDCGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-7-9-17(10-8-14)11-23-21(27)16(3)29-19(26)12-25-13-24-20-15(2)5-4-6-18(20)22(25)28/h4-10,13,16H,11-12H2,1-3H3,(H,23,27).
What are the key properties of [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 393.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 55463532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).