[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

C24H23N3O4 — CID 55459343

IUPAC[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C24H23N3O4/c1-14-7-6-9-18-22(14)25-13-27(24(18)30)12-11-20(28)31-16(3)23(29)21-15(2)26-19-10-5-4-8-17(19)21/h4-10,13,16,26H,11-12H2,1-3H3
InChIKeyIHSGXUSVVQIWGH-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.70
Rot. Bonds6

About [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate

[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 55459343) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Name[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID55459343
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C24H23N3O4/c1-14-7-6-9-18-22(14)25-13-27(24(18)30)12-11-20(28)31-16(3)23(29)21-15(2)26-19-10-5-4-8-17(19)21/h4-10,13,16,26H,11-12H2,1-3H3
InChIKeyIHSGXUSVVQIWGH-UHFFFAOYSA-N
XLogP3.70
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7351083
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819502
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701235
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2081390
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7400010
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51273270
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate (CID 55459343) is [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is Cc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)CCn1cnc2c(C)cccc2c1=O.
What is the InChIKey of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is IHSGXUSVVQIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-14-7-6-9-18-22(14)25-13-27(24(18)30)12-11-20(28)31-16(3)23(29)21-15(2)26-19-10-5-4-8-17(19)21/h4-10,13,16,26H,11-12H2,1-3H3.
What are the key properties of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate?
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 417.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 55459343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).