4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide

C20H17F3N4O3 — CID 135675737

IUPAC4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H17F3N4O3/c21-12-8-9-14(19(23)18(12)22)26-17(29)10-24-16(28)7-3-6-15-25-13-5-2-1-4-11(13)20(30)27-15/h1-2,4-5,8-9H,3,6-7,10H2,(H,24,28)(H,26,29)(H,25,27,30)
InChIKeyQAVSAQPYCDXIHT-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.42
Rot. Bonds7

About 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide

4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide (PubChem CID 135675737) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
PubChem CID135675737
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H17F3N4O3/c21-12-8-9-14(19(23)18(12)22)26-17(29)10-24-16(28)7-3-6-15-25-13-5-2-1-4-11(13)20(30)27-15/h1-2,4-5,8-9H,3,6-7,10H2,(H,24,28)(H,26,29)(H,25,27,30)
InChIKeyQAVSAQPYCDXIHT-UHFFFAOYSA-N
XLogP2.42
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]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

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831892
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 135516424
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137282586
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
The IUPAC name of 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide (CID 135675737) is 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide.
What is the SMILES notation for 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
The canonical SMILES for 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
The InChIKey is QAVSAQPYCDXIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-12-8-9-14(19(23)18(12)22)26-17(29)10-24-16(28)7-3-6-15-25-13-5-2-1-4-11(13)20(30)27-15/h1-2,4-5,8-9H,3,6-7,10H2,(H,24,28)(H,26,29)(H,25,27,30).
What are the key properties of 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide has a molecular weight of 418.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide is sourced from PubChem (CID 135675737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).