2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide

C21H21ClFN3O3 — CID 71959526

IUPAC2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H21ClFN3O3/c1-4-9-24-19(27)13(3)25-18-8-5-12(2)10-15(18)20(28)26(21(25)29)14-6-7-17(23)16(22)11-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,24,27)
InChIKeyMPCUOEDABUDQDW-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.34
Rot. Bonds5

About 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide

2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide (PubChem CID 71959526) has the molecular formula C21H21ClFN3O3 and a molecular weight of 417.87 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide
PubChem CID71959526
Molecular FormulaC21H21ClFN3O3
Molecular Weight417.87 g/mol
Exact Mass417.13
IUPAC Name2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H21ClFN3O3/c1-4-9-24-19(27)13(3)25-18-8-5-12(2)10-15(18)20(28)26(21(25)29)14-6-7-17(23)16(22)11-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,24,27)
InChIKeyMPCUOEDABUDQDW-UHFFFAOYSA-N
XLogP3.34
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide 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-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
(2R)-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)butanamide
CID 93304312
(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
CID 93302190
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
(2S)-2-[3-(3-chloro-4-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)propanamide
CID 93142963
2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]-N-propylpropanamide
CID 61478328
2-(3-benzyl-6-methyl-2,4-dioxoquinazolin-1-yl)-N-butan-2-ylpropanamide
CID 71956412
(2R)-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 93302213
(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
CID 93302210
3-(3-chloro-4-fluorophenyl)-2-[(1S)-1-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 7202003

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide (CID 71959526) is 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1c(=O)n(-c2ccc(F)c(Cl)c2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide?
The InChIKey is MPCUOEDABUDQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O3/c1-4-9-24-19(27)13(3)25-18-8-5-12(2)10-15(18)20(28)26(21(25)29)14-6-7-17(23)16(22)11-14/h5-8,10-11,13H,4,9H2,1-3H3,(H,24,27).
What are the key properties of 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide?
2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide has a molecular weight of 417.87 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide is sourced from PubChem (CID 71959526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).