N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide

C23H23FN4O2 — CID 71703213

IUPACN-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H23FN4O2/c1-15-27-21-10-9-17(24)13-19(21)23(30)28(15)12-11-25-22(29)8-4-5-16-14-26-20-7-3-2-6-18(16)20/h2-3,6-7,9-10,13-14,26H,4-5,8,11-12H2,1H3,(H,25,29)
InChIKeyZKNSRWNACFZPIX-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 71703213) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID71703213
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H23FN4O2/c1-15-27-21-10-9-17(24)13-19(21)23(30)28(15)12-11-25-22(29)8-4-5-16-14-26-20-7-3-2-6-18(16)20/h2-3,6-7,9-10,13-14,26H,4-5,8,11-12H2,1H3,(H,25,29)
InChIKeyZKNSRWNACFZPIX-UHFFFAOYSA-N
XLogP3.46
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide 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

3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 26443966
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 19330007
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
N-[3-(benzimidazol-1-yl)propyl]-4-(1H-indol-3-yl)butanamide
CID 51221849

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 71703213) is N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide is Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is ZKNSRWNACFZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-27-21-10-9-17(24)13-19(21)23(30)28(15)12-11-25-22(29)8-4-5-16-14-26-20-7-3-2-6-18(16)20/h2-3,6-7,9-10,13-14,26H,4-5,8,11-12H2,1H3,(H,25,29).
What are the key properties of N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 406.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 71703213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).