[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate

C24H25N3O4 — CID 8527272

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate
SMILESCc1ccc(-n2c(CCC(=O)O[C@@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-15-7-11-18(12-8-15)27-21(26-20-6-4-3-5-19(20)24(27)30)13-14-22(28)31-16(2)23(29)25-17-9-10-17/h3-8,11-12,16-17H,9-10,13-14H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyJHTGPKNQTJIDBY-INIZCTEOSA-N
MW419.48 g/mol
LogP2.84
Rot. Bonds7

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate (PubChem CID 8527272) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate
PubChem CID8527272
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate
SMILESCc1ccc(-n2c(CCC(=O)O[C@@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-15-7-11-18(12-8-15)27-21(26-20-6-4-3-5-19(20)24(27)30)13-14-22(28)31-16(2)23(29)25-17-9-10-17/h3-8,11-12,16-17H,9-10,13-14H2,1-2H3,(H,25,29)/t16-/m0/s1
InChIKeyJHTGPKNQTJIDBY-INIZCTEOSA-N
XLogP2.84
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate with MolForge

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Related Compounds

N-cyclopropyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824360
N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanamide
CID 4304340
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 55361923
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
N-(4-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8871437
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 42917087
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627202
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424471

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate (CID 8527272) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate is Cc1ccc(-n2c(CCC(=O)O[C@@H](C)C(=O)NC3CC3)nc3ccccc3c2=O)cc1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate?
The InChIKey is JHTGPKNQTJIDBY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-7-11-18(12-8-15)27-21(26-20-6-4-3-5-19(20)24(27)30)13-14-22(28)31-16(2)23(29)25-17-9-10-17/h3-8,11-12,16-17H,9-10,13-14H2,1-2H3,(H,25,29)/t16-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate has a molecular weight of 419.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate is sourced from PubChem (CID 8527272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).