2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide

C23H24N4O2 — CID 137287040

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C23H24N4O2/c1-14(2)27(13-21-25-20-11-7-5-9-17(20)23(29)26-21)22(28)12-18-15(3)24-19-10-6-4-8-16(18)19/h4-11,14,24H,12-13H2,1-3H3,(H,25,26,29)
InChIKeyWTSDJJZHHARRGI-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide

2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 137287040) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID137287040
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C23H24N4O2/c1-14(2)27(13-21-25-20-11-7-5-9-17(20)23(29)26-21)22(28)12-18-15(3)24-19-10-6-4-8-16(18)19/h4-11,14,24H,12-13H2,1-3H3,(H,25,26,29)
InChIKeyWTSDJJZHHARRGI-UHFFFAOYSA-N
XLogP3.69
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
3-(1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962225
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylhexanamide
CID 135962216
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135993449
2-[[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]methyl]-3H-quinazolin-4-one
CID 135878040
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
CID 137281126
4-(2-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 137284798
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327
(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135956667

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide (CID 137287040) is 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide is Cc1[nH]c2ccccc2c1CC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is WTSDJJZHHARRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)27(13-21-25-20-11-7-5-9-17(20)23(29)26-21)22(28)12-18-15(3)24-19-10-6-4-8-16(18)19/h4-11,14,24H,12-13H2,1-3H3,(H,25,26,29).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 388.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 137287040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).