2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

C22H22N4O4 — CID 171138526

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H22N4O4/c1-30-11-10-23-20(27)19(12-14-13-24-17-8-4-2-6-15(14)17)26-21(28)16-7-3-5-9-18(16)25-22(26)29/h2-9,13,19,24H,10-12H2,1H3,(H,23,27)(H,25,29)
InChIKeyHZWBSNSHDRYDJX-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.72
Rot. Bonds7

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 171138526) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
PubChem CID171138526
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H22N4O4/c1-30-11-10-23-20(27)19(12-14-13-24-17-8-4-2-6-15(14)17)26-21(28)16-7-3-5-9-18(16)25-22(26)29/h2-9,13,19,24H,10-12H2,1H3,(H,23,27)(H,25,29)
InChIKeyHZWBSNSHDRYDJX-UHFFFAOYSA-N
XLogP1.72
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoic acid
CID 3746850
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-methylsulfanylpropanoic acid
CID 6851373
(2R,3R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
CID 29146333
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-methylsulfanylpropanoate
CID 6574489
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 4836744
1-[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 4966819
(2S)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
CID 6353140
(2R)-N-[2-(dimethylsulfamoyl)ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanamide
CID 126418506
benzyl N-[3-(1H-indol-3-yl)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamate
CID 3101232
(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 126417775
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]amino]propanoic acid
CID 6851381

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (CID 171138526) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is HZWBSNSHDRYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-30-11-10-23-20(27)19(12-14-13-24-17-8-4-2-6-15(14)17)26-21(28)16-7-3-5-9-18(16)25-22(26)29/h2-9,13,19,24H,10-12H2,1H3,(H,23,27)(H,25,29).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 406.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 171138526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).