N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide

C22H22N6O4 — CID 154861182

IUPACN-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2cc(C(=O)NNc3nc4ccccc4c(=O)n3C)ccc21
InChIInChI=1S/C22H22N6O4/c1-13(29)23-12-19(30)28-10-9-14-11-15(7-8-18(14)28)20(31)25-26-22-24-17-6-4-3-5-16(17)21(32)27(22)2/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)(H,24,26)(H,25,31)
InChIKeyINXJZEAJBYZFHW-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.72
Rot. Bonds5

About N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide

N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide (PubChem CID 154861182) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide
PubChem CID154861182
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC NameN-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2cc(C(=O)NNc3nc4ccccc4c(=O)n3C)ccc21
InChIInChI=1S/C22H22N6O4/c1-13(29)23-12-19(30)28-10-9-14-11-15(7-8-18(14)28)20(31)25-26-22-24-17-6-4-3-5-16(17)21(32)27(22)2/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)(H,24,26)(H,25,31)
InChIKeyINXJZEAJBYZFHW-UHFFFAOYSA-N
XLogP0.72
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide
CID 24540351
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
2-(4-fluorophenyl)-N'-(3-methyl-4-oxoquinazolin-2-yl)quinoline-4-carbohydrazide
CID 154859440
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047920
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide (CID 154861182) is N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCc2cc(C(=O)NNc3nc4ccccc4c(=O)n3C)ccc21.
What is the InChIKey of N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide?
The InChIKey is INXJZEAJBYZFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-13(29)23-12-19(30)28-10-9-14-11-15(7-8-18(14)28)20(31)25-26-22-24-17-6-4-3-5-16(17)21(32)27(22)2/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)(H,24,26)(H,25,31).
What are the key properties of N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide?
N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide has a molecular weight of 434.46 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[(3-methyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 154861182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).